SCHEMBL7863145

SCHEMBL7863145

CCOC(=O)C(CC)Cc1cccc(CNC(=O)c2cccc(NC=NN)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.54
PPARG P37231 12/20 0.54
PPARA Q07869 4/20 0.48
PPARD Q03181 2/20 0.42
LMNA P02545 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL7864776 0.90 PPARG (0.53) EPHX2PPARGPPARAPPARDLMNA
SCHEMBL7864170 0.87 EPHX2 (0.47) EPHX2PPARGLMNABCHE
SCHEMBL7862050 0.83 PPARG (0.44) EPHX2PPARGLMNABCHE
SCHEMBL7864267 0.82 TP53 (0.45) PPARGLMNABCHE
SCHEMBL7856477 0.81 TP53 (0.41) LMNABCHE
SCHEMBL7856483 0.80 SIRT2 (0.48) EPHX2PPARGLMNA
SCHEMBL7864706 0.79 MMP13 (0.48) LMNABCHE
SCHEMBL7862001 0.79 ITGB3 (0.48) LMNABCHE
SCHEMBL7861998 0.79 ITGB3 (0.48) LMNABCHE
SCHEMBL7864788 0.78 SIRT2 (0.44) EPHX2PPARGLMNA

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