SCHEMBL7375287

SCHEMBL7375287

CCOC(=O)C(CC(=O)OC(C)(C)C)c1ccc(NC(=O)c2cccc(NC=NN)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 8/20 0.40
MEN1 O00255 6/20 0.40
NPC1 O15118 5/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
RAB9A P51151 4/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
HTT P42858 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL7452094 0.89 ITGB3 (0.48) LMNAKMT2AMEN1NPC1ITGB3
SCHEMBL7375285 0.87 KMT2A (0.44) STAT3LMNAKMT2AMEN1NPC1
SCHEMBL7380401 0.82 ITGB3 (0.47) STAT3KMT2AMEN1NPC1ITGB3
SCHEMBL7375972 0.80 ITGB3 (0.58) STAT3LMNAKMT2AMEN1NPC1
SCHEMBL7803105 0.80 ITGB3 (0.49) STAT3KMT2AMEN1NPC1ITGB3
SCHEMBL7452939 0.78 KMT2A (0.41) STAT3LMNAKMT2AMEN1NPC1
SCHEMBL7452944 0.78 ITGB3 (0.44) STAT3LMNAKMT2AMEN1NPC1
SCHEMBL7379931 0.78 ITGB3 (0.50) STAT3LMNAKMT2AMEN1ITGB3
SCHEMBL7377112 0.77 ITGB3 (0.55) KMT2AMEN1NPC1ITGB3ITGA2B
SCHEMBL7376667 0.76 ITGB3 (0.52) LMNAKMT2AMEN1NPC1ITGB3

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 8 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