SCHEMBL9850496

SCHEMBL9850496

CS(=O)(=O)OC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
CA1 P00915 6/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA7 P43166 3/20 0.40
TACR1 P25103 1/20 0.39
CA4 P22748 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SLC1A1 P43005 1/20 0.36
HPGD P15428 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL15892827 0.87 CA1 (0.42) KMT2ACA1CA2CA9CA7
SCHEMBL14372181 0.85 CA1 (0.35) KMT2ACA1CA2CA9CA7
SCHEMBL14747277 0.85 CA1 (0.35) KMT2ACA1CA2CA9CA7
SCHEMBL14747292 0.85 CA1 (0.35) KMT2ACA1CA2CA9CA7
SCHEMBL4619145 0.85 CA1 (0.35) KMT2ACA1CA2CA9CA7
SCHEMBL15721047 0.85 CA1 (0.35) KMT2ACA1CA2CA9CA7
SCHEMBL754270 0.85 CA1 (0.35) KMT2ACA1CA2CA9CA7
SCHEMBL9344087 0.85 CA1 (0.35) KMT2ACA1CA2CA9CA7
SCHEMBL4619157 0.85 CA1 (0.35) KMT2ACA1CA2CA9CA7
SCHEMBL4621789 0.85 CA1 (0.35) KMT2ACA1CA2CA9CA7

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-0422975-A1 Alpha-glucosidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-17 EP disclosed