SCHEMBL10410682

SCHEMBL10410682

CC(C)C1CCC(C)(c2ccc(O)cc2)C(c2ccccc2)(c2ccc(O)cc2)C1O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SIRT1 Q96EB6 1/20 0.32
ESR2 Q92731 2/20 0.32
MAPT P10636 1/20 0.32
OPRL1 P41146 2/20 0.31
ALOX5AP P20292 1/20 0.31
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL27847723 0.93 OPRL1 (0.35) CYP2D6OPRL1SLC18A3
SCHEMBL27485524 0.79 OPRL1 (0.35) CYP2D6OPRL1
SCHEMBL11755106 0.77 OPRL1 (0.34) CYP2D6OPRL1
SCHEMBL28855370 0.77 OPRL1 (0.34) CYP2D6OPRL1
SCHEMBL8083114 0.77 OPRL1 (0.37) CYP2D6MAPTOPRL1SLC18A3
SCHEMBL27561826 0.76 OPRL1 (0.40) CYP2D6OPRL1
SCHEMBL10410680 0.75 ESR2 (0.38) GRIN2BGRIN2DGRIN3BCYP2D6GRIN1
SCHEMBL28168535 0.75 OPRL1 (0.34) OPRL1
SCHEMBL28311498 0.74 OPRL1 (0.32) OPRL1
SCHEMBL28118550 0.74 OPRL1 (0.32) OPRL1

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-4926156-A Apparatus for measuring the partial pressure of gases or vapors SIEMENS AKTIENGESELLSCHAFT (DE) 1990-05-15 US claimed