SCHEMBL6680449

SCHEMBL6680449

COC(=O)c1cc(S(=O)(=O)c2ccc(CCNC(C(=O)OC(C)(C)C)[C@H](O)c3ccccc3)cc2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HAT1 O14929 6/20 0.37
EP300 Q09472 6/20 0.37
ADRB1 P08588 3/20 0.37
ADRB3 P13945 3/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 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
SCHEMBL6269077 0.93 ADRB3 (0.41) KMT2ACA2MEN1GAAHAT1
SCHEMBL6272930 0.85 ADRB3 (0.40) CA2HAT1EP300ADRB1ADRB3
SCHEMBL6269328 0.82 KDM4E (0.41) KDM4ERAB9AKMT2AMEN1GAA
SCHEMBL6679264 0.81 ADRB3 (0.36) KMT2ACA2MEN1ALDH1A1HAT1
SCHEMBL6678531 0.79 ITGA4 (0.39) KDM4EKMT2ACA2MEN1GAA
SCHEMBL6679366 0.78 ADRB3 (0.39) CA2HAT1EP300ADRB1ADRB3
SCHEMBL6676099 0.78 CA2 (0.54) KDM4ERAB9ACA2
SCHEMBL6676373 0.78 ADRB3 (0.40) CA2ADRB1ADRB3
SCHEMBL6683334 0.77 ADRB3 (0.42) KMT2ACA2ADRB1ADRB3
SCHEMBL6273579 0.77 BACE1 (0.41) KDM4EKMT2AMEN1GAAALDH1A1

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