SCHEMBL7377906

SCHEMBL7377906

NN=CNc1cccc(C(=O)NN([C@@H](Cc2ccccc2)C(=O)O)S(=O)(=O)C=Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.37
F10 P00742 5/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
SENP1 Q9P0U3 3/20 0.35
SENP2 Q9HC62 1/20 0.35
GPR132 Q9UNW8 3/20 0.35
ITGB3 P05106 3/20 0.34
ITGAV P06756 3/20 0.34
ITGA2B P08514 3/20 0.34
ITGB1 P05556 2/20 0.34
ITGB5 P18084 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL7377901 1.00 TGM2 (0.37) TGM2F10F2PRSS1PRSS2
SCHEMBL7377895 0.88 F10 (0.38) F10F2PRSS1PRSS2PRSS3
SCHEMBL7376076 0.86 ITGB3 (0.39) GPR132ITGB3ITGAVITGA2BITGB1
SCHEMBL7376071 0.86 ITGB3 (0.39) GPR132ITGB3ITGAVITGA2BITGB1
SCHEMBL7375584 0.85 ALDH1A1 (0.41) GPR132ITGB3ITGAVITGA2BITGB1
SCHEMBL7375578 0.85 ALDH1A1 (0.41) GPR132ITGB3ITGAVITGA2BITGB1
SCHEMBL7378147 0.81 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380590 0.81 GPR132 (0.39) GPR132ITGB3ITGAVITGA2BITGB1
SCHEMBL7380583 0.81 GPR132 (0.39) GPR132ITGB3ITGAVITGA2BITGB1
SCHEMBL7375604 0.78 ALDH1A1 (0.39) F10F2PRSS1GPR132ITGB3

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