SCHEMBL31354792

SCHEMBL31354792

OC(CCc1ccccc1)CCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.52
LTB4R2 Q9NPC1 2/20 0.52
PTGER2 P43116 2/20 0.46
PTGER1 P34995 1/20 0.46
PTGFR P43088 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
SLC18A3 Q16572 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
SLC18A2 Q05940 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL4256995 0.98 LTB4R (0.53) LTB4RLTB4R2PTGER2PTGER1PTGFR
SCHEMBL60979 0.79 CTSS (0.54) EPHX2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL7429602 0.78 METAP1 (0.50) SIGMAR1
SCHEMBL4799370 0.78 MMP2 (0.55) ALDH1A1
SCHEMBL10790860 0.77 BCHE (0.43) LTB4RLTB4R2EPHX2SIGMAR1
SCHEMBL22350147 0.77 PTGER1 (0.49) LTB4RLTB4R2PTGER2PTGER1PTGFR
SCHEMBL5446010 0.77 PTGER1 (0.43) LTB4RLTB4R2PTGER2PTGER1PTGFR
SCHEMBL22350151 0.77 PTGER1 (0.49) LTB4RLTB4R2PTGER2PTGER1PTGFR
Methane SCHEMBL28304943 0.77 CTSS (0.53) EPHX2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL705394 0.77 CTSS (0.56) OPRM1OPRD1OPRK1SLC18A2CTSS

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-119403907-A Fragrance composition and product for delivering positive emotion 西姆莱斯有限公司 2025-02-07 CN claimed