SCHEMBL7380693

SCHEMBL7380693

CCOC(=O)CCc1cccc(CNC(=O)c2cccc(C(=N)N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.51
F2 P00734 7/20 0.51
MMP13 P45452 2/20 0.49
PPARG P37231 1/20 0.46
PRSS1 P07477 2/20 0.46
EPHX2 P34913 1/20 0.46
ROCK2 O75116 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KLKB1 P03952 2/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7376449 0.92 F10 (0.52) F10F2MMP13PPARGPRSS1
SCHEMBL7856500 0.88 SENP1 (0.48) MMP13PPARGEPHX2ROCK2LMNA
SCHEMBL7862004 0.87 MMP13 (0.47) MMP13PPARGEPHX2ROCK2LMNA
SCHEMBL7862007 0.87 MMP13 (0.47) MMP13PPARGEPHX2ROCK2LMNA
SCHEMBL7861961 0.85 SENP1 (0.49) MMP13PPARGEPHX2ROCK2LMNA
SCHEMBL7372797 0.85 ITGB3 (0.60) F10F2PRSS1KLKB1
SCHEMBL7458359 0.84 PPARG (0.65) F10F2MMP13PPARGPRSS1
SCHEMBL7380699 0.82 PPARG (0.44) MMP13PPARGEPHX2ROCK2LMNA
SCHEMBL7862050 0.82 PPARG (0.44) MMP13PPARGEPHX2ROCK2LMNA
SCHEMBL7864682 0.82 GAA (0.55) MMP13PPARGEPHX2ROCK2LMNA

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 12 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-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 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
EP-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS 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-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed
EP-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP disclosed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed