SCHEMBL4540880

SCHEMBL4540880

COC(=O)c1ccc2c(c1)nc(C1(O)CC1)n2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.50
KDM4E B2RXH2 1/20 0.47
TBXA2R P21731 6/20 0.45
DRD2 P14416 5/20 0.45
CNR2 P34972 1/20 0.42
CCR2 P41597 1/20 0.42

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
SCHEMBL4532827 0.83 PPARG (0.68) PPARGKDM4ETBXA2RDRD2
SCHEMBL8035322 0.82 PPARG (0.65) PPARGKDM4E
SCHEMBL8036202 0.82 PPARG (0.65) PPARGKDM4ETBXA2RDRD2CNR2
SCHEMBL8039653 0.81 PPARG (0.66) PPARGKDM4ETBXA2RDRD2CNR2
SCHEMBL8025911 0.73 KDM4E (0.70) PPARGKDM4ETBXA2RDRD2
SCHEMBL2100541 0.73 KDM4E (0.55) PPARGKDM4ETBXA2RDRD2CNR2
SCHEMBL4535196 0.71 PPARG (0.72) PPARGTBXA2RCCR2
SCHEMBL2161533 0.70 KDM4E (0.68) PPARGKDM4E
SCHEMBL19987318 0.70 KDM4E (0.68) PPARGKDM4ECNR2
SCHEMBL8036225 0.70 PPARG (0.65) PPARGKDM4ETBXA2RDRD2

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