SCHEMBL7453717

SCHEMBL7453717

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.70
ITGA2B P08514 11/20 0.70
ITGB1 P05556 11/20 0.70
ITGAV P06756 10/20 0.70
ITGB5 P18084 8/20 0.70
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
FFAR1 O14842 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
ITGA4 P13612 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR132 Q9UNW8 1/20 0.42
MMP9 P14780 1/20 0.42
ITGA2 P17301 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
SCHEMBL7453242 1.00 ITGB3 (0.70) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7376069 0.93 ITGB3 (0.59) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7376077 0.93 ITGB3 (0.59) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7453793 0.90 ITGB3 (0.57) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7377094 0.90 ITGB3 (0.57) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7377087 0.90 ITGB3 (0.57) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7379419 0.90 ITGB3 (0.56) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7379423 0.90 ITGB3 (0.56) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7457821 0.90 ITGB1 (0.71) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7457299 0.90 ITGB1 (0.71) ITGB3ITGA2BITGB1ITGAVITGB5

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