SCHEMBL29237682

SCHEMBL29237682

CCOC(=O)CCc1cccc(C2(C(=O)CBr)CCS(=O)(=O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.39
▸ CYP4A11 Q02928 3/20 0.39
▸ CHRM5 P08912 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ SYK P43405 4/20 0.36
▸ MAPT P10636 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SLC22A1 O15245 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL30217338 1.00 CYP4F2 (0.39) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL29237551 0.88 MAPT (0.42) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL30217241 0.88 MAPT (0.42) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL31108605 0.86 NPSR1 (0.40) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL29237466 0.86 NPSR1 (0.40) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL29237237 0.82 CYP4F2 (0.38) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL31108595 0.81 SIRT2 (0.41) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL31108597 0.81 SIRT2 (0.43) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL29237224 0.81 SIRT2 (0.43) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL29237405 0.81 OPRM1 (0.38) CYP4F2CYP4A11CHRM5CHRM1CHRM3

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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