SCHEMBL30403672

SCHEMBL30403672

CC1CCC2CC1(c1ccccc1O)C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
OPRD1 P41143 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
ENTPD5 O75356 2/20 0.33
HSD11B1 P28845 3/20 0.32
ALOX5AP P20292 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TRPA1 O75762 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
SCHEMBL30760716 0.79
SCHEMBL23202764 0.72 ENTPD5 (0.37) NPSR1OPRD1OPRM1OPRK1ENTPD5
SCHEMBL31286389 0.72 ENTPD5 (0.37) NPSR1OPRD1OPRM1OPRK1ENTPD5
SCHEMBL4954546 0.72 CHRM2 (0.38) OPRM1HSD11B1
SCHEMBL31005151 0.72 CHRNA7 (0.32) SMN1; SMN2
SCHEMBL30340489 0.70
SCHEMBL725435 0.68 ALDH1A1 (0.43) NPSR1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL31119898 0.67 CHRM2 (0.44) NPSR1OPRM1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL9770580 0.67 OPRM1 (0.38) OPRD1OPRM1OPRK1
SCHEMBL1568830 0.67 ESR1 (0.36) OPRD1OPRM1OPRK1ALOX5APALDH1A1

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-116322568-A Method for preparing microcapsules 弗门尼舍有限公司 2023-06-23 CN disclosed