SCHEMBL7375970

SCHEMBL7375970

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.60
ITGAV P06756 6/20 0.60
ITGA2B P08514 6/20 0.60
ITGB1 P05556 5/20 0.60
ITGB5 P18084 5/20 0.60
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
NTSR1 P30989 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
STAT3 P40763 1/20 0.39
PLAU P00749 1/20 0.39
ACE P12821 1/20 0.39

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
SCHEMBL7416608 1.00 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380249 0.92 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380245 0.92 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7410063 0.90 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7409522 0.90 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7410070 0.90 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379424 0.89 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379426 0.89 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7379428 0.89 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7455753 0.88 ITGB3 (0.55) 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 9 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-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