SCHEMBL4807993

SCHEMBL4807993

Cc1cc(OCCN[C@@H](C)[C@@H](O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)cc(C)c1-c1ccc(OC(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 15/20 0.46
▸ PPARA Q07869 13/20 0.46
▸ ADRB3 P13945 3/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL4807971 1.00 PPARG (0.46) PPARGPPARAADRB3FFAR1PTPN1
SCHEMBL4818984 0.92 ADRB3 (0.42) PPARGPPARAADRB3FFAR1
SCHEMBL4818979 0.92 ADRB3 (0.42) PPARGPPARAADRB3FFAR1
SCHEMBL4808561 0.90 PPARG (0.43) PPARGPPARAADRB3
SCHEMBL4808571 0.90 PPARG (0.43) PPARGPPARAADRB3
SCHEMBL5699460 0.89 FFAR1 (0.47) PPARGPPARAADRB3FFAR1
SCHEMBL5699461 0.89 FFAR1 (0.47) PPARGPPARAADRB3FFAR1
SCHEMBL5699447 0.88 KEAP1 (0.39) ADRB3FFAR1
SCHEMBL5699440 0.88 KEAP1 (0.39) ADRB3FFAR1
SCHEMBL4817838 0.87 ADRB3 (0.43) PPARGPPARAADRB3

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
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 — — US disclosed
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