SCHEMBL6679282

SCHEMBL6679282

O=S(=O)(c1ccc(CCNC(Cc2ccccc2)C(O)c2cccc(Cl)c2)cc1)c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.39
ADRB3 P13945 9/20 0.39
ADRB1 P08588 4/20 0.39
ADRB2 P07550 2/20 0.39
HAT1 O14929 3/20 0.38
EP300 Q09472 3/20 0.38
FAAH O00519 1/20 0.37
SFRP1 Q8N474 1/20 0.37

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
SCHEMBL6679483 1.00 SLC2A1 (0.39) SLC2A1ADRB3ADRB1ADRB2HAT1
SCHEMBL6676613 0.95 SIGMAR1 (0.39) SLC2A1ADRB3ADRB1ADRB2FAAH
SCHEMBL6678770 0.88 ADRB3 (0.43) ADRB3ADRB1HAT1EP300
SCHEMBL6679660 0.85 CTSD (0.40) SLC2A1ADRB3ADRB1ADRB2HAT1
SCHEMBL6681905 0.85 TUBB (0.41) SLC2A1ADRB3ADRB1ADRB2HAT1
SCHEMBL6676287 0.84 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL6272839 0.84 KMT2A (0.42) SLC2A1ADRB3ADRB1
SCHEMBL6677803 0.83 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL6272911 0.83 KMT2A (0.42) SLC2A1ADRB3HAT1EP300
SCHEMBL6679246 0.83 ADORA1 (0.40) SLC2A1ADRB3ADRB1ADRB2HAT1

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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed