SCHEMBL28987487

SCHEMBL28987487

OC1CCCC(O)(C2CCCCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MET P08581 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
HSD17B3 P37058 1/20 0.33
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30742696 0.79 OPRM1 (0.42) TSHRMETOPRM1OPRD1OPRK1
SCHEMBL1779193 0.78 TSHR (0.43) TSHRMETOPRM1OPRD1OPRK1
SCHEMBL14473055 0.77 MET (0.37) TSHRMETOPRM1OPRD1OPRK1
SCHEMBL3711846 0.76 OPRM1 (0.43) TSHRMETOPRM1OPRD1OPRK1
SCHEMBL3708728 0.76 OPRM1 (0.43) TSHRMETOPRM1OPRD1OPRK1
SCHEMBL7572979 0.76 OPRM1 (0.43) TSHRMETOPRM1OPRD1OPRK1
SCHEMBL29889248 0.76 OPRM1 (0.43) TSHRMETOPRM1OPRD1OPRK1
SCHEMBL5081429 0.76 OPRM1 (0.43) TSHRMETOPRM1OPRD1OPRK1
SCHEMBL4964887 0.76 OPRM1 (0.43) TSHRMETOPRM1OPRD1OPRK1
SCHEMBL27917307 0.76 OPRM1 (0.43) TSHRMETOPRM1OPRD1OPRK1

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-115843302-A Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols 诺弗洛普有限公司 2023-03-24 CN disclosed