SCHEMBL8032181

SCHEMBL8032181

CC[C@@H](NC(=O)c1ccc(NCc2ccc(Cl)cn2)c(N)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.59
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
KCNA5 P22460 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
SCHEMBL4537201 0.87 PPARG (0.57) PPARGKDM4E
SCHEMBL8032177 0.86 PPARG (0.60) PPARGTAS1R3TAS1R1
SCHEMBL8035877 0.86 PPARG (0.56) PPARGTAS1R3TAS1R1
SCHEMBL8042117 0.83 PPARG (0.59) PPARGTAS1R3TAS1R1KDM4EGAA
SCHEMBL8034326 0.82 PPARG (0.48) PPARGTAS1R3TAS1R1
SCHEMBL4537762 0.82 PPARG (0.48) PPARGKDM4EGAAKCNA5
SCHEMBL8038553 0.81 PPARG (0.60) PPARGTAS1R3TAS1R1KDM4EGAA
SCHEMBL4538247 0.81 PPARG (0.59) PPARGTAS1R3TAS1R1
SCHEMBL8034539 0.80 PPARG (0.56) PPARGTAS1R3TAS1R1
SCHEMBL8032490 0.80 PPARG (0.55) PPARGGAA

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