SCHEMBL515157

SCHEMBL515157

CCCCCCCCCCCCCCCCCCC(O)C(=O)[O-].[Na+]

nearest known ligand 0.64

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 10)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.64
CA1 known ✓ P00915 2/20 0.61
GPR84 Q9NQS5 8/20 0.63
FFAR1 O14842 2/20 0.63
NFKB1 P19838 2/20 0.55
FFAR4 Q5NUL3 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL830879 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL6561695 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL9355567 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL29800325 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL10913274 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL7202633 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL1233071 1.00 CA2 (0.64) CA2GPR84FFAR1CA1NFKB1
SCHEMBL10911647 0.98 CA1 (0.63) CA2GPR84FFAR1CA1NFKB1
SCHEMBL23391732 0.96 GPR84 (0.63) CA2GPR84FFAR1CA1NFKB1
SCHEMBL11812812 0.96 GPR84 (0.63) CA2GPR84FFAR1CA1NFKB1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917973-A1 Stable formulation comprising a moisture sensitive drug and manufacturing procedure thereof Teva Pharmaceutical Industries Ltd (IL) 2008-05-07 EP claimed
EP-1864677-B1 Stable formulation comprising a moisture sensitive drug and manufacturing procedure thereof TEVA PHARMA (IL) 2008-01-02 EP claimed
EP-1864677-A1 Stable formulation comprising a moisture sensitive drug and manufacturing procedure thereof Teva Pharmaceutical Industries Ltd (IL) 2007-12-12 EP claimed
CN-118829416-A Composition (III) 西姆莱斯股份公司 2024-10-22 CN disclosed
EP-2395838-B1 STABLE PHARMACEUTICAL COMPOSITION FOR ATHEROSCLEROSIS CADILA PHARMACEUTICALS LTD (IN) 2018-07-25 EP disclosed
US-9789187-B2 Stable pharmaceutical composition for atherosclerosis CADILA PHARMACEUTICALS LIMITED (IN) 2017-10-17 US disclosed
US-20120027849-A1 STABLE PHARMACEUTICAL COMPOSITION FOR ATHEROSCLEROSIS CADILA PHARMACEUTICALS LIMITED (IN) 2012-02-02 US disclosed
EP-1917973-A1 Stable formulation comprising a moisture sensitive drug and manufacturing procedure thereof Teva Pharmaceutical Industries Ltd (IL) 2008-05-07 EP disclosed
EP-1864677-B1 Stable formulation comprising a moisture sensitive drug and manufacturing procedure thereof TEVA PHARMA (IL) 2008-01-02 EP disclosed
WO-2007142628-A1 STABLE FORMULATION COMPRISING MOISTURE SENSITIVE DRUG/S AND MANUFACTURING PROCEDURE THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-13 WO disclosed
EP-1864677-A1 Stable formulation comprising a moisture sensitive drug and manufacturing procedure thereof Teva Pharmaceutical Industries Ltd (IL) 2007-12-12 EP disclosed
US-20070281000-A1 Stable formulation comprising moisture sensitive drug/s and manufacturing procedure thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-06 US disclosed