SCHEMBL8039653

SCHEMBL8039653

COC(=O)c1ccc2c(c1)nc(C(C)C)n2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.66
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KDM4E B2RXH2 1/20 0.50
CNR2 P34972 1/20 0.46
TBXA2R P21731 5/20 0.45
DRD2 P14416 4/20 0.45
ALOX5AP P20292 1/20 0.45

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
SCHEMBL8028794 0.88 PPARG (0.69) PPARGHDAC1HDAC6TBXA2RALOX5AP
SCHEMBL4532827 0.86 PPARG (0.68) PPARGHDAC1HDAC6KDM4ETBXA2R
SCHEMBL8036202 0.84 PPARG (0.65) PPARGKDM4ECNR2TBXA2RDRD2
SCHEMBL8035322 0.82 PPARG (0.65) PPARGKDM4E
SCHEMBL4540880 0.81 PPARG (0.50) PPARGKDM4ECNR2TBXA2RDRD2
SCHEMBL4565571 0.80 PPARG (1.00) PPARG
SCHEMBL8037666 0.80 PPARG (1.00) PPARG
SCHEMBL8025911 0.76 KDM4E (0.70) PPARGHDAC1HDAC6KDM4ETBXA2R
SCHEMBL2100541 0.75 KDM4E (0.55) PPARGKDM4ECNR2TBXA2RDRD2
SCHEMBL408881 0.75 KDM4E (0.53) HDAC1HDAC6KDM4ECNR2

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
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed