SCHEMBL5699364

SCHEMBL5699364

Cc1cc(-c2ccc(OCC(=O)O)cc2)cc(C)c1OCCN[C@@H](C)[C@@H](O)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 8/20 0.42
▸ PPARD Q03181 4/20 0.39
▸ PPARG P37231 3/20 0.39
▸ NR3C1 P04150 2/20 0.38
▸ PGR P06401 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ AR P10275 1/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ CYP19A1 P11511 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
SCHEMBL5699357 1.00 ADRB3 (0.42) ADRB3PPARDPPARGNR3C1PGR
SCHEMBL4811222 0.93 ADRB3 (0.46) ADRB3PPARDPPARGNR3C1PGR
SCHEMBL4811239 0.93 ADRB3 (0.46) ADRB3PPARDPPARGNR3C1PGR
SCHEMBL4811684 0.93 MEN1 (0.39) ADRB3PPARDPPARGNR3C1PGR
SCHEMBL4811657 0.93 MEN1 (0.39) ADRB3PPARDPPARGNR3C1PGR
SCHEMBL5699460 0.90 FFAR1 (0.47) ADRB3PPARDPPARGPPARAFFAR1
SCHEMBL5699461 0.90 FFAR1 (0.47) ADRB3PPARDPPARGPPARAFFAR1
SCHEMBL4808571 0.89 PPARG (0.43) ADRB3PPARGPPARA
SCHEMBL4815151 0.89 ADRB3 (0.39) ADRB3PPARGADRB1PPARAADAMTS4
SCHEMBL4808561 0.89 PPARG (0.43) ADRB3PPARGPPARA

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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