SCHEMBL7380245

SCHEMBL7380245

CCOC(=O)NC(Cc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.50
ITGAV P06756 6/20 0.50
ITGA2B P08514 6/20 0.50
ITGB1 P05556 5/20 0.50
ITGB5 P18084 5/20 0.50
KMT2A Q03164 4/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 3/20 0.43
HTT P42858 2/20 0.43
PLAU P00749 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL7380249 1.00 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379428 0.94 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379424 0.94 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379426 0.94 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379400 0.93 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379407 0.93 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7455753 0.92 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7378601 0.92 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7375970 0.92 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7416608 0.92 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB5

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 7 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
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