SCHEMBL9258283

SCHEMBL9258283

CCCCCCCCC=CCCCCCCCC(=O)OCC(C)(C)S(=O)(=O)CC(CC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
FAAH O00519 2/20 0.40
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ELANE P08246 5/20 0.39
P2RY10 O00398 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9259942 0.84 MAPT (0.39) MEN1ALDH1A1KMT2A
SCHEMBL9258279 0.84 FAAH (0.41) EPHX2FAAHSOAT2SOAT1CNR1
Methyl Alcohol SCHEMBL9267439 0.79 ALDH1A1 (0.45) CNR1ALDH1A1
SCHEMBL29035432 0.79 EPHX2 (0.60) EPHX2FAAHSOAT2SOAT1CNR1
SCHEMBL27674153 0.79 EPHX2 (0.60) EPHX2FAAHSOAT2SOAT1CNR1
SCHEMBL28906277 0.79 EPHX2 (0.60) EPHX2FAAHSOAT2SOAT1CNR1
SCHEMBL15537993 0.79 EPHX2 (0.60) EPHX2FAAHSOAT2SOAT1CNR1
SCHEMBL4623958 0.79 EPHX2 (0.60) EPHX2FAAHSOAT2SOAT1CNR1
SCHEMBL4623962 0.79 EPHX2 (0.60) EPHX2FAAHSOAT2SOAT1CNR1
SCHEMBL28192004 0.79 EPHX2 (0.60) EPHX2FAAHSOAT2SOAT1CNR1

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
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed