SCHEMBL11466971

SCHEMBL11466971

CCC[C@H]1CC[C@](O)(c2ccc(CC)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.46
OPRM1 P35372 4/20 0.46
OPRK1 P41145 3/20 0.46
OPRD1 P41143 2/20 0.46
HSD11B1 P28845 1/20 0.38
CYP2C9 P11712 1/20 0.34
CNR2 P34972 1/20 0.34
CHRM4 P08173 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11458352 1.00 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1HSD11B1
SCHEMBL11458351 1.00 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1HSD11B1
SCHEMBL11457604 0.91 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1HSD11B1
SCHEMBL11469103 0.91 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1HSD11B1
SCHEMBL11457605 0.91 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1HSD11B1
SCHEMBL11457551 0.89 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1CYP2C9
SCHEMBL11475337 0.89 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1CYP2C9
SCHEMBL11457550 0.89 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1CYP2C9
SCHEMBL10571723 0.88 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL2892148 0.85 OPRM1 (0.41) OPRL1OPRM1OPRK1OPRD1CYP2C9

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-4198130-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1980-04-15 US disclosed