SCHEMBL7379286

SCHEMBL7379286

Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(NC(=O)c3cccc(NC(=N)N)c3)cc2)C(=O)O)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.66
ITGAV P06756 19/20 0.66
ITGA2B P08514 3/20 0.57
ALB P02768 1/20 0.57
ITGB1 P05556 2/20 0.55
ITGB5 P18084 2/20 0.55
MMP9 P14780 1/20 0.52

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
SCHEMBL7379281 1.00 ITGB3 (0.66) ITGB3ITGAVITGA2BALBITGB1
SCHEMBL7452485 0.89 ITGB3 (0.62) ITGB3ITGAVITGA2BALBITGB1
SCHEMBL7379291 0.89 ITGB3 (0.62) ITGB3ITGAVITGA2BALBITGB1
SCHEMBL5878537 0.87 ITGB3 (0.86) ITGB3ITGAVITGA2BALB
SCHEMBL5878533 0.87 ITGB3 (0.86) ITGB3ITGAVITGA2BALB
SCHEMBL7383779 0.86 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7383774 0.86 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7371971 0.86 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7371979 0.86 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7378145 0.85 ITGB3 (0.56) ITGB3ITGAVITGA2BALB

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 7 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
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
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