SCHEMBL9314031

SCHEMBL9314031

CCCCN(CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1cc(C)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
MAPK3 P27361 1/20 0.42
HTR2C P28335 1/20 0.42
MC4R P32245 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL9428182 0.91 USP2 (0.44) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL9312748 0.89 CYP4F2 (0.46) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL9313810 0.86 MAPT (0.49) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL9314905 0.86 USP2 (0.42) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL9314002 0.86 MEN1 (0.47) KMT2ATTPAMEN1ALOX5
SCHEMBL9313506 0.81 CYP4F2 (0.40) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL9312850 0.81 MAPT (0.52) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL9312736 0.80 PTGS1 (0.47) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL9313918 0.80 MAPT (0.45) USP2CYP2C9CYP3A4TSHRMAPT
SCHEMBL9427821 0.78 AKT1 (0.33) USP2CYP2C9CYP3A4TSHRTP53

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-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed