SCHEMBL7375111

SCHEMBL7375111

CN(C(=O)c1cccc(NC(=N)N)c1)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
PPARG P37231 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
HPGD P15428 1/20 0.43
PLAU P00749 1/20 0.43
FFAR1 O14842 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
MAPT P10636 1/20 0.41
LIMK2 P53671 1/20 0.40
ACACB O00763 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL7377403 0.87 MAPT (0.47) ALDH1A1GAAALOX15HPGDF2
SCHEMBL7520415 0.85 ITGB3 (0.41) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7458413 0.84 FFAR1 (0.43) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7373419 0.83 ITGB3 (0.66) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7375380 0.82 ITGB3 (0.43) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7375114 0.80 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7450519 0.79 PPARG (0.65) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7379804 0.79 ITGB3 (0.55) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7861970 0.77 ITGB3 (0.76) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL4109710 0.77 FFAR1 (0.53) 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 10 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
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 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