SCHEMBL9181501

SCHEMBL9181501

Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.57
PPARA Q07869 14/20 0.57
KDR P35968 1/20 0.54
CYP2C9 P11712 1/20 0.54
KCNH2 Q12809 1/20 0.54
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL6157414 0.90 KDR (0.67) PPARGPPARAKDRCYP2C9KCNH2
SCHEMBL8545784 0.86 PPARG (0.55) PPARGPPARAKDRCYP2C9KCNH2
SCHEMBL9178784 0.86 PPARG (0.54) PPARGPPARAKDRCYP2C9KCNH2
SCHEMBL9178780 0.86 PPARG (0.54) PPARGPPARAKDRCYP2C9KCNH2
SCHEMBL13144923 0.83 PPARG (0.52) PPARGPPARAKDRCYP2C9KCNH2
SCHEMBL3081643 0.82 PPARG (0.58) PPARGPPARACYP2C9KCNH2
SCHEMBL7563293 0.81 KDR (0.60) PPARGPPARAKDRMAPT
SCHEMBL6960376 0.80 KDR (0.63) PPARGPPARAKDRCYP2C9KCNH2
SCHEMBL6960372 0.80 KDR (0.63) PPARGPPARAKDRCYP2C9KCNH2
SCHEMBL9179359 0.80 PPARG (0.55) PPARGPPARAKDRCYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468760-A Treating atherosclerosis, inflammation, and asthma AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-21 US disclosed