SCHEMBL30967845

SCHEMBL30967845

CCOC(=O)CCc1cccc(C2(C(=O)O)CCOC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL29237392 1.00 NPSR1 (0.41) NPSR1CYP4F2CYP4A11GAAALOX5
SCHEMBL29237237 0.89 CYP4F2 (0.38) NPSR1CYP4F2CYP4A11GAAALOX5
SCHEMBL29237466 0.84 NPSR1 (0.40) NPSR1CYP4F2CYP4A11GAAALOX5
SCHEMBL31108605 0.84 NPSR1 (0.40) NPSR1CYP4F2CYP4A11GAAALOX5
SCHEMBL29237551 0.81 MAPT (0.42) NPSR1CYP4F2CYP4A11TDP1CHRM5
SCHEMBL30217241 0.81 MAPT (0.42) NPSR1CYP4F2CYP4A11TDP1CHRM5
SCHEMBL30967833 0.77 BACE1 (0.52) NPSR1GAAALOX5ALDH1A1OPRM1
SCHEMBL29237211 0.77 BACE1 (0.52) NPSR1GAAALOX5ALDH1A1OPRM1
SCHEMBL30217340 0.77 BACE1 (0.52) NPSR1GAAALOX5ALDH1A1OPRM1
SCHEMBL29237214 0.77 BACE1 (0.52) NPSR1GAAALOX5ALDH1A1OPRM1

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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