SCHEMBL5699493

SCHEMBL5699493

COC(=O)c1ccc(-c2ccc(OCCNC(C)C(O)c3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 13/20 0.47
▸ ADAMTS4 O75173 2/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ ADRB1 P08588 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ESRRA P11474 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ ACACB O00763 1/20 0.39

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
SCHEMBL4810264 1.00 ADRB3 (0.47) ADRB3ADAMTS4MMP13ADRB1MAPT
SCHEMBL4810262 1.00 ADRB3 (0.47) ADRB3ADAMTS4MMP13ADRB1MAPT
SCHEMBL4809407 0.94 ADRB3 (0.46) ADRB3ADAMTS4MMP13ADRB1RAB9A
SCHEMBL4809396 0.94 ADRB3 (0.46) ADRB3ADAMTS4MMP13ADRB1RAB9A
SCHEMBL4817704 0.93 ADRB3 (0.51) ADRB3ADAMTS4MMP13ADRB1RAB9A
SCHEMBL4811239 0.90 ADRB3 (0.46) ADRB3ADAMTS4MMP13ADRB1RAB9A
SCHEMBL4811222 0.90 ADRB3 (0.46) ADRB3ADAMTS4MMP13ADRB1RAB9A
SCHEMBL4811685 0.88 ADRB3 (0.40) ADRB3ADRA1DADRA1AADRA1B
SCHEMBL4811697 0.88 ADRB3 (0.40) ADRB3ADRA1DADRA1AADRA1B
SCHEMBL4818523 0.87 ADRB3 (0.52) ADRB3ADRB1

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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