SCHEMBL25767236

SCHEMBL25767236

CC(C)(C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1)C1CCC(c2ccc(O)cc2)(c2ccc(S)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.46
ESR1 P03372 4/20 0.46
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 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
SCHEMBL45831 0.92 ESR2 (0.53) ESR2ESR1OPRM1OPRD1OPRK1
SCHEMBL2605552 0.90 ESR2 (0.52) ESR2ESR1OPRM1OPRD1OPRK1
SCHEMBL9065276 0.86 ESR2 (0.55) ESR2ESR1OPRM1OPRD1OPRK1
SCHEMBL25767034 0.86 ESR2 (0.47) ESR2ESR1OPRM1
SCHEMBL20684752 0.86 ESR2 (0.47) ESR2ESR1OPRM1OPRD1OPRK1
SCHEMBL2605553 0.83 ESR2 (0.49) ESR2ESR1OPRM1OPRD1OPRK1
SCHEMBL23250802 0.82 ESR2 (0.46) ESR2ESR1OPRM1OPRD1OPRK1
SCHEMBL2498416 0.82 ESR2 (0.53) ESR2ESR1OPRM1
SCHEMBL24299168 0.81 ESR2 (0.42) ESR2ESR1
SCHEMBL11141715 0.80 ESR2 (0.44) ESR2ESR1OPRM1OPRD1OPRK1

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-20230212387-A1 LOW-REFRACTIVE-INDEX THERMOSETTING COMPOSITION, OPTICAL MEMBER FORMED THEREFROM, AND DISPLAY DEVICE DONGJIN SEMICHEM CO., LTD. (KR) 2023-07-06 US disclosed