SCHEMBL6553136

SCHEMBL6553136

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.65
ADRB1 P08588 10/20 0.65
ADRB2 P07550 11/20 0.62
SLC2A1 P11166 3/20 0.60
CYP2D6 P10635 2/20 0.60
CYP3A4 P08684 1/20 0.60
HIF1A Q16665 1/20 0.60
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
GLA P06280 1/20 0.58
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL6539713 1.00 ADRB3 (0.65) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL6539716 1.00 ADRB3 (0.65) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL6553139 1.00 ADRB3 (0.65) ADRB3ADRB1ADRB2SLC2A1CYP2D6
Hydrochloric Acid SCHEMBL6541106 0.99 ADRB3 (0.64) ADRB3ADRB1ADRB2SLC2A1CYP2D6
Hydrochloric Acid SCHEMBL6540977 0.99 ADRB3 (0.64) ADRB3ADRB1ADRB2SLC2A1CYP2D6
Hydrochloric Acid SCHEMBL6540980 0.99 ADRB3 (0.64) ADRB3ADRB1ADRB2SLC2A1CYP2D6
Hydrochloric Acid SCHEMBL6541113 0.99 ADRB3 (0.64) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL6539602 0.95 ADRB3 (0.58) ADRB3ADRB1ADRB2SLC2A1CYP2D6
SCHEMBL6539597 0.95 ADRB3 (0.58) ADRB3ADRB1ADRB2SLC2A1CYP2D6
Hydrochloric Acid SCHEMBL6541608 0.94 SLC2A1 (0.58) ADRB3ADRB1ADRB2SLC2A1CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed