SCHEMBL7371971

SCHEMBL7371971

CS(=O)(=O)NC(Cc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.71
ITGAV P06756 14/20 0.71
ITGA2B P08514 10/20 0.71
ITGB1 P05556 7/20 0.71
ITGB5 P18084 7/20 0.71
MMP9 P14780 2/20 0.53
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7371979 1.00 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380664 0.89 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380660 0.89 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7383779 0.88 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7383774 0.88 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7371990 0.87 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7371996 0.87 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7373997 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7371450 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379281 0.86 ITGB3 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP claimed
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
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US disclosed