SCHEMBL7378012

SCHEMBL7378012

CCOC(=O)[C@H](Cc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.59
ITGAV P06756 4/20 0.59
ITGA2B P08514 4/20 0.59
ITGB1 P05556 3/20 0.59
ITGB5 P18084 3/20 0.59
MMP9 P14780 2/20 0.53
CTSL P07711 2/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BACE1 P56817 1/20 0.48
PLAU P00749 4/20 0.48
F2 P00734 2/20 0.48
F10 P00742 2/20 0.48
PLG P00747 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
HPN P05981 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL7452996 1.00 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380664 0.89 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380660 0.89 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7383774 0.89 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7383779 0.89 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7453010 0.89 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380047 0.87 NPC1 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7380048 0.87 NPC1 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7375575 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7461249 0.85 ITGB3 (0.45) 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