SCHEMBL30217241

SCHEMBL30217241

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ CHRM5 P08912 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ OPRM1 P35372 3/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNA3 P22001 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL29237551 1.00 MAPT (0.42) MAPTCYP4F2CYP4A11CHRM5CHRM1
SCHEMBL30217338 0.88 CYP4F2 (0.39) MAPTCYP4F2CYP4A11CHRM5CHRM1
SCHEMBL29237682 0.88 CYP4F2 (0.39) MAPTCYP4F2CYP4A11CHRM5CHRM1
SCHEMBL30967845 0.81 NPSR1 (0.41) MAPTCYP4F2CYP4A11CHRM5CHRM1
SCHEMBL29237392 0.81 NPSR1 (0.41) MAPTCYP4F2CYP4A11CHRM5CHRM1
SCHEMBL30217226 0.79 OPRM1 (0.59) CHRM5CHRM1CHRM3OPRM1OPRD1
SCHEMBL29237501 0.79 OPRM1 (0.41) CYP4F2CYP4A11CHRM5CHRM1CHRM3
SCHEMBL4425984 0.75 CYP4F2 (0.64) CYP4F2CYP4A11TDP1SYK
SCHEMBL31108605 0.74 NPSR1 (0.40) MAPTCYP4F2CYP4A11CHRM5CHRM1
SCHEMBL29237466 0.74 NPSR1 (0.40) MAPTCYP4F2CYP4A11CHRM5CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
Send feedback