SCHEMBL3071795

SCHEMBL3071795

N#CCC(CO)C(=O)[O-].[Na+]

nearest known ligand 0.38

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 7)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.33
CA4 known ✓ P22748 1/20 0.30
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.34

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
SCHEMBL3256811 0.76
Ammonia Solution, Strong SCHEMBL6544793 0.74 SLC1A1 (0.41)
SCHEMBL16820022 0.74
SCHEMBL6928955 0.72 CYP3A4 (0.46) CYP3A4TSHRNFKB1NPSR1LMNA
SCHEMBL30010202 0.69 CA4 (0.50) CYP3A4TSHRNFKB1NPSR1LMNA
SCHEMBL4612400 0.69
SCHEMBL2782576 0.69 CYP3A4 (0.48) CYP3A4TSHRNFKB1NPSR1LMNA
SCHEMBL28324581 0.67 LMNA (0.41) CYP3A4TSHRNFKB1NPSR1LMNA
Water SCHEMBL5159517 0.67 CA2 (0.50) CYP3A4TSHRNFKB1NPSR1LMNA
SCHEMBL11406750 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115736085-B Efficient preparation of salty-enhancing and fresh-enhancing soybean peptide and Maillard intermediate thereof through small peptide molecular weight distribution regulation and control 江南大学 2024-01-30 CN disclosed
CN-115736085-A Method for efficiently preparing salty-enhancing and fresh-increasing soybean peptide and Maillard intermediate thereof through small peptide molecular weight distribution regulation 江南大学 2023-03-07 CN disclosed
CN-112195125-B Fermentation method for improving amino acid nitrogen, reducing sugar and flavor of brewed soy sauce 千禾味业食品股份有限公司 2022-06-10 CN disclosed
CN-112195125-A Fermentation method for improving amino acid nitrogen, reducing sugar and flavor of brewed soy sauce 千禾味业食品股份有限公司 2021-01-08 CN disclosed
CN-109554406-A An a kind of step prepares ketone acid and the class of Non-natural chiral amino acid turns ammonia method 江南大学 2019-04-02 CN disclosed
US-7829321-B2 Method for the production of bacterial toxins BAXTER INTERNATIONAL INC. (US) 2010-11-09 US disclosed
US-7790185-B2 Method for the production of bacterial toxins BAXTER INTERNATIONAL INC. (US) 2010-09-07 US disclosed
US-20060216789-A1 Method for the production of bacterial toxins BAXTER INTERNATIONAL INC. (US) 2006-09-28 US disclosed
US-20060204955-A1 Method for the production of bacterial toxins BAXTER HEALTHCARE S.A (CH) 2006-09-14 US disclosed
US-7045314-B2 Method for the production of bacterial toxins BAXTER INTERNATIONAL INC. (US) 2006-05-16 US disclosed
US-7018813-B2 Method for the production of bacterial toxins BAXTER INTERNATIONAL INC. (US) 2006-03-28 US disclosed
EP-1268531-B1 METHOD FOR THE PRODUCTION OF BACTERIAL TOXINS BAXTER INT (US) 2005-07-06 EP disclosed
US-20050100553-A1 Method for the production of bacterial toxins BAXTER HEALTHCARE S.A. (CH) 2005-05-12 US disclosed
US-6686180-B2 GENERATING MICROORGANISMAL GENE EXPRESSION INHIBITORS; OBTAIN MICROORGANISM, CULTURE, EXPRESS MODULATORS OF GENE ACTIVITY IN CULTURE, RECOVER GENE EXPRESSION INHIBITORS BAXTER INTERNATIONAL INC. 2004-02-03 US disclosed
EP-1268531-A2 METHOD FOR THE PRODUCTION OF BACTERIAL TOXINS BAXTER INTERNATIONAL INC. (US) 2003-01-02 EP disclosed
US-20020165344-A1 Method for the production of bacterial toxins BAXTER HEALTHCARE S.A. (CH) 2002-11-07 US disclosed
US-20020061555-A1 Method for the production of bacterial toxins BAXTER HEALTHCARE S.A. (CH) 2002-05-23 US disclosed
WO-2001074862-A2 METHOD FOR THE PRODUCTION OF BACTERIAL TOXINS BAXTER INTERNATIONAL INC. (US) 2001-10-11 WO disclosed