SCHEMBL22748859

SCHEMBL22748859

CCCCCCCCCc1ccc(Br)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.60
PPARA Q07869 1/20 0.60
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL8561443 0.87 PPARG (0.56) PPARGPPARA
SCHEMBL10774024 0.84 PPARG (0.65) PPARGPPARACYP1A2CYP3A4
SCHEMBL10773021 0.84 PPARG (0.65) PPARGPPARACYP1A2CYP3A4
SCHEMBL10771261 0.84 PPARG (0.65) PPARGPPARACYP1A2CYP3A4
SCHEMBL17295274 0.83 ATM (0.44) PPARGPPARACYP1A2CYP3A4
SCHEMBL3872175 0.82 PPARG (0.62) PPARGPPARACYP1A2CYP3A4
SCHEMBL17295146 0.81 TNKS2 (0.60) PPARGPPARA
SCHEMBL11222303 0.81 ATM (0.43) PPARGPPARACYP1A2CYP3A4
SCHEMBL4737345 0.80 GPR3 (0.54) PPARACYP3A4
SCHEMBL9485313 0.80 HTR1A (0.72) PPARGPPARACYP1A2CYP3A4CYP2C8

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-2020245297-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed