SCHEMBL7375972

SCHEMBL7375972

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.58
ITGB1 P05556 5/20 0.58
ITGAV P06756 5/20 0.58
ITGA2B P08514 5/20 0.58
ITGB5 P18084 5/20 0.58
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FFAR1 O14842 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
STAT3 P40763 1/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
CTSL P07711 2/20 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
SCHEMBL7380254 0.92 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7409536 0.91 ITGB3 (0.71) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7410092 0.91 ITGB3 (0.71) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7410083 0.91 ITGB3 (0.71) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7453793 0.90 ITGB3 (0.57) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7378476 0.89 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7375970 0.88 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7416608 0.88 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7380053 0.88 MEN1 (0.48) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7379419 0.86 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA2BITGB5

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