SCHEMBL5030707

SCHEMBL5030707

CC1CC(C)(C)c2cc(O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 4/20 0.40
OPRM1 P35372 8/20 0.39
OPRD1 P41143 6/20 0.38
OPRK1 P41145 6/20 0.38
SIGMAR1 Q99720 5/20 0.38

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
SCHEMBL6276772 0.85 OPRM1 (0.39) MRGPRX2OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL14492610 0.79 CCR2 (0.37)
SCHEMBL28298759 0.78 CA12 (0.34) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL18540416 0.78 HTR2C (0.40) OPRM1OPRD1OPRK1
SCHEMBL13948527 0.78 HTR2C (0.40) OPRM1OPRD1OPRK1
SCHEMBL674309 0.77 ESR2 (0.41) OPRM1OPRD1OPRK1
SCHEMBL29374049 0.77 ESR2 (0.41) OPRM1OPRD1OPRK1
SCHEMBL5706922 0.76 MRGPRX2 (0.49) MRGPRX2OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL4521166 0.76 OPRK1 (0.45) MRGPRX2OPRM1OPRD1OPRK1
SCHEMBL9264554 0.73 ESR1 (0.41) MRGPRX2

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-2008019152-A1 COMPOSITION, ASSOCIATED METHOD AND ARTICLE MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-02-14 WO disclosed