SCHEMBL7457299

SCHEMBL7457299

CC(C)OC(=O)N[C@@H](Cc1ccc(NC(=O)c2cccc(C(=O)NC=NN)c2)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.71
ITGB3 P05106 10/20 0.71
ITGAV P06756 10/20 0.71
ITGA2B P08514 10/20 0.71
ITGB5 P18084 9/20 0.71
ITGA4 P13612 6/20 0.43
MMP9 P14780 1/20 0.43
ITGA2 P17301 1/20 0.43
ITGB7 P26010 1/20 0.43
FOLH1 Q04609 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MEN1 O00255 1/20 0.42
FFAR1 O14842 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7457821 1.00 ITGB1 (0.71) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7453242 0.90 ITGB3 (0.70) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7453717 0.90 ITGB3 (0.70) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7378431 0.84 ITGB1 (0.72) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7378433 0.84 ITGB1 (0.72) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7377253 0.82 ITGB3 (0.72) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7377256 0.82 ITGB3 (0.72) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7376069 0.82 ITGB3 (0.59) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7376077 0.82 ITGB3 (0.59) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7462807 0.82 ITGB1 (0.59) ITGB1ITGB3ITGAVITGA2BITGB5

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-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