SCHEMBL28588482

SCHEMBL28588482

C=C1CCC(O)(C2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B3 P37058 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
SCHEMBL28365856 0.83 LMNA (0.36) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL21535361 0.78 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL21535362 0.78 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL613339 0.78 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL31550466 0.78 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL18566703 0.78 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL3711846 0.76 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL3708728 0.76 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL7572979 0.76 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL5081429 0.76 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1LMNA

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
CN-108291050-B Polymeric flame retardant mixtures 科莱恩塑料和涂料有限公司 2021-06-25 CN disclosed