SCHEMBL13971111

SCHEMBL13971111

CCCCc1cc2c(cc1OCCCC(=O)O)C(=O)CC2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.44
LTB4R2 Q9NPC1 13/20 0.44
BRD4 O60885 1/20 0.44
TSHR P16473 1/20 0.39

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
SCHEMBL4453277 0.95 LTB4R (0.47) LTB4RLTB4R2BRD4TSHR
SCHEMBL13956434 0.95 LTB4R (0.47) LTB4RLTB4R2BRD4TSHR
SCHEMBL4450768 0.91 LTB4R (0.49) LTB4RLTB4R2BRD4TSHR
SCHEMBL4450879 0.89 LTB4R (0.52) LTB4RLTB4R2TSHR
SCHEMBL13971368 0.88 TSHR (0.49) LTB4RBRD4TSHR
SCHEMBL13956435 0.87 BRD4 (0.43) LTB4RLTB4R2BRD4
SCHEMBL13956437 0.87 LTB4R (0.41) LTB4RLTB4R2BRD4
SCHEMBL2928705 0.86 BRD4 (0.46) LTB4RLTB4R2BRD4TSHR
SCHEMBL13956428 0.86 BRD4 (0.41) LTB4RLTB4R2BRD4TSHR
SCHEMBL2929677 0.85 LTB4R (0.47) LTB4RLTB4R2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed