SCHEMBL8587182

SCHEMBL8587182

COc1ccc(CCOC(=O)C2(C)CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.54
CHRM5 P08912 2/20 0.54
CHRM3 P20309 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.47
CHRM2 P08172 1/20 0.46
F2RL1 P55085 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GLA P06280 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
SCHEMBL8586010 0.86 ALDH1A1 (0.47) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL8587643 0.77 FAAH (0.45) SMN1; SMN2MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL8586762 0.76 FAAH (0.43) SMN1; SMN2MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL25382081 0.75 SMN1; SMN2 (0.64) SMN1; SMN2MAPTNPC1RAB9AF2RL1
SCHEMBL3815839 0.74 SMN1; SMN2 (0.62) SMN1; SMN2MAPTNPC1RAB9AF2RL1
SCHEMBL25382084 0.74 SMN1; SMN2 (0.62) CHRM1CHRM5CHRM3SMN1; SMN2MAPT
SCHEMBL8587310 0.73 ALDH1A1 (0.67) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL8587184 0.73 KMT2A (0.52) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL29321683 0.72 ALOX5 (0.57) F2RL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14783546 0.72 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPC1RAB9AF2RL1

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-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed