SCHEMBL9270271

SCHEMBL9270271

COC(=O)C(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)OCCOc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.76
PPARA Q07869 2/20 0.73

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
SCHEMBL7825493 0.95 PPARG (0.73) PPARGPPARA
SCHEMBL7816253 0.93 PPARG (0.73) PPARGPPARA
SCHEMBL7825955 0.93 PPARG (0.73) PPARGPPARA
SCHEMBL9271070 0.93 PPARG (0.70) PPARGPPARA
SCHEMBL7817262 0.92 PPARG (0.75) PPARGPPARA
SCHEMBL13649244 0.92 PPARG (0.78) PPARGPPARA
SCHEMBL8061189 0.92 PPARG (0.75) PPARGPPARA
SCHEMBL7824139 0.92 PPARG (0.83) PPARGPPARA
SCHEMBL9267167 0.92 PPARG (0.86) PPARGPPARA
SCHEMBL10211510 0.92 PPARG (0.86) PPARGPPARA

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-1995017394-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SMITHKLINE BEECHAM PLC. (GB) 1995-06-29 WO disclosed