SCHEMBL7378435

SCHEMBL7378435

CCCOC(=O)N[C@@H](Cc1ccc(NC(=O)c2cccc(C(=O)NC(=N)N)c2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.56
ITGAV P06756 13/20 0.56
ITGA2B P08514 9/20 0.56
ITGB1 P05556 9/20 0.56
ITGB5 P18084 7/20 0.56
F10 P00742 2/20 0.42
ITGA4 P13612 2/20 0.41
ITGA2 P17301 1/20 0.41
ITGB7 P26010 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7377263 0.91 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7378431 0.88 ITGB1 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7378433 0.88 ITGB1 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7377718 0.84 ITGB1 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379400 0.83 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379407 0.83 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379428 0.83 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7376058 0.80 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7376050 0.80 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL241017 0.80 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5

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 disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed