SCHEMBL11067290

SCHEMBL11067290

CCCCC(CC)CC(=O)[O-].[Na+]

nearest known ligand 0.69

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 6/20 0.69
CA1 known ✓ P00915 2/20 0.46
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
NFKB1 P19838 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28391064 0.96 CA2 (0.66) CA2ALDH1A1CA1TSHRCYP3A4
Zinc Ion SCHEMBL28994507 0.96 CA2 (0.66) CA2ALDH1A1CA1TSHRCYP3A4
SCHEMBL6255509 0.96 CA2 (0.66) CA2ALDH1A1CA1TSHRCYP3A4
SCHEMBL1956303 0.96 CA2 (0.66) CA2ALDH1A1CA1TSHRCYP3A4
SCHEMBL8766462 0.96 CA2 (0.66) CA2ALDH1A1CA1TSHRCYP3A4
SCHEMBL28391589 0.90 CA2 (0.58) CA2ALDH1A1CA1TSHRCYP3A4
SCHEMBL6309267 0.87 CA2 (0.52) CA2CA1TSHRCYP3A4TDP1
SCHEMBL11980515 0.85 CA2 (0.61) CA2ALDH1A1CA1TSHRCYP3A4
SCHEMBL20547157 0.83 CA2 (0.48) CA2CA1TSHRCYP3A4TDP1
SCHEMBL28396132 0.83 CA2 (0.48) CA2CA1TSHRCYP3A4TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645497-B1 PROCESS FOR THE PREPARATION OF HYDROCARBON SOLUBLE ORGANOMETALLIC CATALYSTS HINDUSTAN PETROLEUM CORP LTD (IN) 2023-06-07 EP disclosed
US-11541382-B2 Process for the preparation of hydrocarbon soluble organometallic catalysts HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2023-01-03 US disclosed
US-11478782-B2 Catalyst for heavy oil upgradation HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2022-10-25 US disclosed
EP-3625312-B1 CATALYST FOR HEAVY OIL UPGRADATION HINDUSTAN PETROLEUM CORP LTD (IN) 2022-10-19 EP disclosed
US-20210146345-A1 CATALYST FOR HEAVY OIL UPGRADATION HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2021-05-20 US disclosed
US-20210138442-A1 PROCESS FOR THE PREPARATION OF HYDROCARBON SOLUBLE ORGANOMETALLIC CATALYSTS HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2021-05-13 US disclosed
EP-3645497-A1 PROCESS FOR THE PREPARATION OF HYDROCARBON SOLUBLE ORGANOMETALLIC CATALYSTS Hindustan Petroleum Corporation Limited (IN) 2020-05-06 EP disclosed
EP-3625312-A1 CATALYST FOR HEAVY OIL UPGRADATION Hindustan Petroleum Corporation Limited (IN) 2020-03-25 EP disclosed
WO-2019077619-A1 CATALYST FOR HEAVY OIL UPGRADATION HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2019-04-25 WO disclosed
WO-2018235094-A1 PROCESS FOR THE PREPARATION OF HYDROCARBON SOLUBLE ORGANOMETALLIC CATALYSTS HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2018-12-27 WO disclosed
US-4451399-A OF PENICILLINS AND CEPHALOSPORINS AJINOMOTO COMPANY, INC. (JP) 1984-05-29 US disclosed
EP-0023045-B1 IMIDAZOLECARBOXYLIC ACID DERIVATIVES OF PENICILLINS AND CEPHALOSPORINS AJINOMOTO CO., INC. (JP) 1984-04-11 EP disclosed
EP-0019067-B1 5,10-DIOXO-5,10-DIHYDRODIIMIDAZO(1,5-A,1',5'-D)PYRAZINE-1,6-DICARBOXYLIC ACID AND A PROCESS FOR PRODUCING IMIDAZOLEDICARBOXYLIC ACID AMIDO-DERIVATIVES AJINOMOTO CO., INC. (JP) 1982-10-06 EP disclosed
US-4297279-A CHEMICAL INTERMEDIATE FOR MODIFIED A-AMINOPENICILLINS AND -CEPHALOSPORINS AJINOMOTO CO., INC. (JP) 1981-10-27 US disclosed
EP-0023045-A1 Imidazolecarboxylic acid derivatives of penicillins and cephalosporins AJINOMOTO CO., INC. (JP) 1981-01-28 EP disclosed
EP-0019067-A1 5,10-Dioxo-5,10-dihydrodiimidazo(1,5-a,1',5'-d)pyrazine-1,6-dicarboxylic acid and a process for producing imidazoledicarboxylic acid amido-derivatives AJINOMOTO CO., INC. (JP) 1980-11-26 EP disclosed
US-4217450-A ANTIBIOTICS, BACTERICIDES AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-12 US disclosed