SCHEMBL9950870

SCHEMBL9950870

CCCCCCC(N)C(=O)[O-].[Na+]

nearest known ligand 0.62

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 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.62
CA1 known ✓ P00915 2/20 0.59
GPR84 Q9NQS5 4/20 0.52
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
NFKB1 P19838 2/20 0.48
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
LAP3 P28838 1/20 0.47
SPHK1 Q9NYA1 1/20 0.45
FFAR1 O14842 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL28842326 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL28842327 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL1357451 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL28842314 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL28842452 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL126168 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL34463224 0.96 CA2 (0.57) CA2CA1GPR84GRIK1GRIK2
Norleucine SCHEMBL28842453 0.91 CA2 (0.57) CA2CA1GPR84GRIK1GRIK2
Norleucine SCHEMBL30646313 0.91 CA2 (0.57) CA2CA1GPR84GRIK1GRIK2
SCHEMBL29213762 0.89 FABP3 (0.54) CA2CA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745261-A Novel method for synthesizing 8- [ (2-hydroxybenzoyl) amino) octanoic acid (salcap acid) by amide formation 诺和诺德股份有限公司 2023-09-12 CN claimed
CN-118561709-A Preparation method of pharmaceutical auxiliary material N- (8- [ 2-hydroxybenzoyl ] -amino) sodium octoate 江苏华辅生物医药有限公司 2024-08-30 CN disclosed
US-8372249-B2 Photoreduction processing method of three-dimensional metal nanostructure RIKEN (JP) 2013-02-12 US disclosed
US-20120160058-A1 PHOTOREDUCTION PROCESSING METHOD OF THREE-DIMENSIONAL METAL NANOSTRUCTURE RIKEN (JP) 2012-06-28 US disclosed