SCHEMBL29237541

SCHEMBL29237541

CC(C)(C)C(c1cccc(CCC(=O)O)c1)c1cnc(-c2cc(Oc3c(F)cc4[nH]ccc4c3F)ccc2F)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 17/20 0.37
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SUCNR1 Q9BXA5 1/20 0.31
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ FFAR4 Q5NUL3 3/20 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
SCHEMBL30217229 1.00 FFAR1 (0.37) FFAR1THRATHRBSUCNR1CYP4F2
SCHEMBL29237349 0.93 FFAR1 (0.32) FFAR1
SCHEMBL30217224 0.93 FFAR1 (0.32) FFAR1
SCHEMBL30217005 0.87 PTGS1 (0.33) —
SCHEMBL29237742 0.84 FFAR1 (0.37) FFAR1THRATHRBCYP4F2CYP4A11
SCHEMBL30217008 0.84 FFAR1 (0.37) FFAR1THRATHRBCYP4F2CYP4A11
SCHEMBL31108513 0.84 FFAR1 (0.38) FFAR1THRATHRBSUCNR1CYP4F2
SCHEMBL31108587 0.83 FFAR1 (0.38) FFAR1THRATHRBCYP4F2CYP4A11
SCHEMBL31108509 0.83 FFAR1 (0.38) FFAR1THRATHRBSUCNR1CYP4F2
SCHEMBL30217297 0.82 FFAR4 (0.34) FFAR1THRATHRBCYP4F2CYP4A11

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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