SCHEMBL5169461

SCHEMBL5169461

[CH2]COc1cccc(CCC)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
ALOX5 P09917 1/20 0.43
BCHE P06276 4/20 0.42
CYP2D6 P10635 3/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL7753869 0.89 FDFT1 (0.46) PPARAPPARG
SCHEMBL3156831 0.85 KDM4E (0.53) BCHE
SCHEMBL427612 0.85 CHRM2 (0.58) PPARAPPARGCYP4F2CYP4A11TAAR1
SCHEMBL5251506 0.82 CNR1 (0.50) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL14382693 0.81 CYP2D6 (0.57) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL10280660 0.81 PPARA (0.48) PPARAPPARGCYP4F2CYP4A11TAAR1
SCHEMBL9633048 0.81 ALOX5 (0.48) PPARAPPARGTAAR1CHRM2CHRM1
SCHEMBL31267723 0.81 BCHE (0.49) PPARAPPARGCYP4F2CYP4A11TAAR1
SCHEMBL26218121 0.80 TAAR1 (0.50) PPARAPPARGTAAR1CHRM2CHRM1
SCHEMBL465063 0.80 TAAR1 (0.47) PPARAPPARGCYP4F2CYP4A11TAAR1

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
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed