SCHEMBL7379419

SCHEMBL7379419

CCOC(=O)NC(Cc1ccc(NC(=O)c2cccc(NC=NN)c2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.56
ITGAV P06756 12/20 0.56
ITGB1 P05556 10/20 0.56
ITGA2B P08514 9/20 0.56
ITGB5 P18084 7/20 0.56
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FFAR1 O14842 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
NPC1 O15118 1/20 0.44
ITGA4 P13612 3/20 0.43
ITGA2 P17301 1/20 0.43
ITGB7 P26010 1/20 0.43
NR1H4 Q96RI1 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
SCHEMBL7379423 1.00 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7380254 0.94 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7376077 0.92 ITGB3 (0.59) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7376069 0.92 ITGB3 (0.59) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7377094 0.91 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7377087 0.91 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7453717 0.90 ITGB3 (0.70) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7453242 0.90 ITGB3 (0.70) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7410092 0.88 ITGB3 (0.71) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7410083 0.88 ITGB3 (0.71) ITGB3ITGAVITGB1ITGA2BITGB5

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