SCHEMBL5699461

SCHEMBL5699461

Cc1cc(OCCN[C@@H](C)[C@@H](O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)cc(C)c1-c1ccc(OCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 13/20 0.47
▸ ADRB3 P13945 6/20 0.42
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40

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
SCHEMBL5699460 1.00 FFAR1 (0.47) FFAR1ADRB3PPARGPPARDPPARA
SCHEMBL4811239 0.93 ADRB3 (0.46) FFAR1ADRB3PPARGPPARDPPARA
SCHEMBL4811222 0.93 ADRB3 (0.46) FFAR1ADRB3PPARGPPARDPPARA
SCHEMBL5699440 0.92 KEAP1 (0.39) FFAR1ADRB3
SCHEMBL5699447 0.92 KEAP1 (0.39) FFAR1ADRB3
SCHEMBL4818979 0.90 ADRB3 (0.42) FFAR1ADRB3PPARGPPARA
SCHEMBL4818984 0.90 ADRB3 (0.42) FFAR1ADRB3PPARGPPARA
SCHEMBL5699364 0.90 ADRB3 (0.42) FFAR1ADRB3PPARGPPARDPPARA
SCHEMBL5699357 0.90 ADRB3 (0.42) FFAR1ADRB3PPARGPPARDPPARA
SCHEMBL4816225 0.89 ADRB3 (0.40) FFAR1ADRB3

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
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 — — EP disclosed
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