SCHEMBL11001230

SCHEMBL11001230

CC(C)(C(=O)C(Br)Oc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.43
PPARG P37231 16/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL11002653 0.94 PPARG (0.43) PPARAPPARGMAPTKMT2AMEN1
SCHEMBL11003522 0.93 PPARA (0.42) PPARAPPARGMAPTKMT2AMEN1
SCHEMBL11005515 0.92 PPARA (0.48) PPARAPPARGMAPTKMT2AMEN1
SCHEMBL11007296 0.90 KMT2A (0.46) PPARAPPARGMAPTKMT2AMEN1
SCHEMBL11004939 0.88 PPARG (0.39) PPARAPPARGMAPTKMT2AMEN1
SCHEMBL11006062 0.87 PPARG (0.42) PPARAPPARGMAPTKMT2AMEN1
SCHEMBL11003980 0.86 OGG1 (0.44) PPARGMAPTKMT2A
SCHEMBL11004596 0.85 PKM (0.41) PPARGMAPTKMT2A
SCHEMBL8496952 0.82 CYP3A4 (0.51) PPARAPPARGMAPTKMT2AMEN1
SCHEMBL11005546 0.81 PPARA (0.48) PPARAMAPTKMT2AMEN1CYP1A2

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
EP-0150499-A2 Substituted 3-azolyl butane derivatives, process for their preparation and agricultural and horticultural fungicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-08-07 EP disclosed