SCHEMBL7862050

SCHEMBL7862050

CCOC(=O)CCc1cccc(CNC(=O)c2cccc(NC=NN)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
SENP1 Q9P0U3 7/20 0.44
EPHX2 P34913 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.40
SENP2 Q9HC62 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
SYK P43405 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ROCK2 O75116 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
SCHEMBL7856525 0.87 PPARG (0.59) PPARGSENP1LMNAMAPK1SENP2
SCHEMBL7380699 0.85 PPARG (0.44) PPARGSENP1EPHX2MMP13LMNA
SCHEMBL7856500 0.84 SENP1 (0.48) PPARGSENP1EPHX2MMP13MAPT
SCHEMBL7377976 0.84 KMT2A (0.48) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL7861961 0.84 SENP1 (0.49) PPARGSENP1EPHX2MMP13MAPT
SCHEMBL7863145 0.83 EPHX2 (0.54) PPARGEPHX2LMNABCHE
SCHEMBL7864706 0.83 MMP13 (0.48) SENP1MMP13MAPTLMNAHPGD
SCHEMBL7380693 0.82 F10 (0.51) PPARGEPHX2MMP13LMNAHPGD
SCHEMBL7864170 0.81 EPHX2 (0.47) PPARGSENP1EPHX2LMNAHPGD
SCHEMBL7856483 0.81 SIRT2 (0.48) PPARGSENP1EPHX2MMP13LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 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-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-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