SCHEMBL7376266

SCHEMBL7376266

NC(=O)Nc1cccc(C(=O)Nc2ccccc2CCC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.62
KCNK9 Q9NPC2 2/20 0.62
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
ITGAV P06756 3/20 0.49
SUCNR1 Q9BXA5 2/20 0.48
CFD P00746 1/20 0.48
F11 P03951 1/20 0.48
TPSB2 P20231 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.48
SLC16A3 O15427 1/20 0.47
BCHE P06276 1/20 0.47
ABCB1 P08183 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
NR1H4 Q96RI1 2/20 0.46
PPARD Q03181 1/20 0.46

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
SCHEMBL8500043 0.84 MAPT (0.57) BCHESMN1; SMN2LMNAMAPTPPARG
SCHEMBL7380584 0.84 ITGB3 (0.52) KCNK3KCNK9ITGB3ITGA2BITGAV
SCHEMBL7379531 0.84 ITGB3 (0.56) KCNK3KCNK9ITGB3ITGA2BITGAV
SCHEMBL7372561 0.83 KCNK3 (0.56) KCNK3KCNK9SUCNR1CFDF11
SCHEMBL11347943 0.83 NR1H4 (0.55) KCNK3KCNK9SUCNR1SLC16A3ABCB1
SCHEMBL7372597 0.81 KCNK3 (0.50) KCNK3KCNK9ITGB3ITGA2BITGAV
SCHEMBL7379381 0.80 ITGB3 (0.69) ITGB3ITGA2BITGAVSMN1; SMN2PPARG
SCHEMBL7380345 0.78 KCNK3 (0.50) KCNK3KCNK9ITGB3ITGA2BITGAV
SCHEMBL7380591 0.78 KCNK3 (0.46) KCNK3KCNK9ITGB3ITGA2BITGAV
SCHEMBL7864782 0.78 MAPT (0.52) KCNK3KCNK9ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed