SCHEMBL6276772

SCHEMBL6276772

CC1CC(C)(C)c2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 5/20 0.39
CNR2 P34972 1/20 0.38
MRGPRX2 Q96LB1 4/20 0.37
SIGMAR1 Q99720 3/20 0.37
CYP19A1 P11511 3/20 0.37

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
SCHEMBL5030707 0.85 MRGPRX2 (0.40) OPRM1OPRD1OPRK1MRGPRX2SIGMAR1
SCHEMBL24000928 0.78 HTR2C (0.44)
SCHEMBL29859799 0.78 CA12 (0.41) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL23501557 0.78 CA12 (0.41) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL14433230 0.76 POLB (0.36)
SCHEMBL17530495 0.76 MAPT (0.42)
SCHEMBL11438868 0.75 HPGD (0.36)
SCHEMBL13006941 0.74 ALDH1A1 (0.35)
SCHEMBL9906973 0.73 RXRA (0.39)
SCHEMBL4521166 0.73 OPRK1 (0.45) OPRM1OPRD1OPRK1MRGPRX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55076831-A None JP disclosed
JP-55013207-A None JP disclosed
EP-1597006-A2 WEATHERABLE MULTILAYER ARTICLES AND METHOD FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2005-11-23 EP disclosed
WO-2004085102-A2 WEATHERABLE MULTILAYER ARTICLES AND METHOD FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2004-10-07 WO disclosed
JP-S5576831-A HYDROXYINDENE DIMER AND ITS PREPARATION MITSUI TOATSU CHEM INC 1980-06-10 JP disclosed
JP-S5513207-A NOVEL INDANE COMPOUND AND ITS PREPARATION MITSUI TOATSU CHEM INC 1980-01-30 JP disclosed