SCHEMBL7410083

SCHEMBL7410083

CC(C)(C)OC(=O)NC(Cc1ccc(NC(=O)c2cccc(NC=NN)c2)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.71
ITGA2B P08514 9/20 0.71
ITGAV P06756 7/20 0.71
ITGB1 P05556 6/20 0.71
ITGB5 P18084 6/20 0.71
ACE P12821 1/20 0.48
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
PPARD Q03181 2/20 0.46
HDAC8 Q9BY41 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CTSS P25774 3/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL7409536 1.00 ITGB3 (0.71) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7410092 1.00 ITGB3 (0.71) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7376077 0.91 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7376069 0.91 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7375972 0.91 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7453717 0.89 ITGB3 (0.70) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7453242 0.89 ITGB3 (0.70) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7379419 0.88 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7379423 0.88 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7410070 0.87 ITGB3 (0.73) ITGB3ITGA2BITGAVITGB1ITGB5

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 9 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
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