SCHEMBL7042971

SCHEMBL7042971

COc1ccc(C(O)C(C)NC[C@H](O)COc2ccc(O)c(NS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.52
ADRB2 P07550 7/20 0.51
ADRB1 P08588 4/20 0.51
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7042588 0.94 ADRB3 (0.50) ADRB3ADRB2ADRB1KMT2AALDH1A1
SCHEMBL7042719 0.91 ADRB3 (0.51) ADRB3ADRB2ADRB1KMT2AALDH1A1
SCHEMBL7044138 0.90 ADRB3 (0.46) ADRB3ADRB2ADRB1KMT2AALDH1A1
SCHEMBL7044656 0.89 MEN1 (0.50) ADRB3ADRB2ADRB1KMT2AALDH1A1
SCHEMBL7608477 0.86 ADRB3 (0.59) ADRB3ADRB2ADRB1KMT2AALDH1A1
SCHEMBL7042688 0.85 ADRB2 (0.45) ADRB3ADRB2ADRB1KMT2AALDH1A1
SCHEMBL7042479 0.85 ADRB2 (0.50) ADRB3ADRB2ADRB1KMT2AALDH1A1
SCHEMBL7609817 0.84 ADRB3 (0.61) ADRB3ADRB2ADRB1KMT2AMEN1
SCHEMBL7251240 0.83 ADRB3 (0.61) ADRB3ADRB2ADRB1ALDH1A1GAA
SCHEMBL7174716 0.82 ALDH1A1 (0.49) ADRB3ADRB2ADRB1KMT2AALDH1A1

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-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 WO disclosed