SCHEMBL9056414

SCHEMBL9056414

CCCCC(C)CCCCCCCCCCCOCC(O)CN(C)CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
SPHK1 Q9NYA1 1/20 0.44
HTT P42858 2/20 0.44
LPAR5 Q9H1C0 3/20 0.40
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLA2G2C Q5R387 3/20 0.37
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
LPAR6 P43657 2/20 0.31

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
SCHEMBL8459094 0.89 USP2 (0.62) USP2SPHK1HTTLPAR5HSD17B10
SCHEMBL7569353 0.89 USP2 (0.62) USP2SPHK1HTTLPAR5HSD17B10
SCHEMBL27772973 0.89 USP2 (0.62) USP2SPHK1HTTLPAR5HSD17B10
SCHEMBL27794198 0.89 USP2 (0.62) USP2SPHK1HTTLPAR5HSD17B10
SCHEMBL27794199 0.89 USP2 (0.62) USP2SPHK1HTTLPAR5HSD17B10
SCHEMBL8768781 0.88 USP2 (0.50) USP2SPHK1HTTLPAR5HSD17B10
Sulfuric Acid SCHEMBL28723401 0.82 USP2 (0.54) USP2SPHK1HTTLPAR5HSD17B10
Sulfuric Acid SCHEMBL28352823 0.82 USP2 (0.54) USP2SPHK1HTTLPAR5HSD17B10
Sulfuric Acid SCHEMBL28938357 0.80 USP2 (0.51) USP2SPHK1HTTLPAR5HSD17B10
SCHEMBL3663196 0.79 USP2 (0.50) USP2SPHK1HTTLPAR5CYP1A2

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-1996015098-A1 AMINE DERIVATIVES FOR TREATMENT OF SKIN DISORDERS KAO CORPORATION (JP) 1996-05-23 WO disclosed