SCHEMBL6604910

SCHEMBL6604910

CC(C)OC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.39
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP13 P45452 1/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
KDR P35968 1/20 0.36
MMP1 P03956 1/20 0.36
FCER2 P06734 1/20 0.36
MMP3 P08254 1/20 0.36
PDE10A Q9Y233 4/20 0.35
RAB9A P51151 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ACACB O00763 1/20 0.35
FAAH O00519 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
SCHEMBL6608596 0.90 KMT2A (0.41) CYP1A2MMP2MMP9MMP8KMT2A
SCHEMBL6608597 0.90 KMT2A (0.41) CYP1A2MMP2MMP9MMP8KMT2A
SCHEMBL6755588 0.90 HPGD (0.38) HPGDCYP1A2MMP2MMP9MMP8
SCHEMBL6605952 0.86 HPGD (0.40) HPGDCYP1A2MMP2MMP9MMP8
SCHEMBL6608479 0.86 MMP2 (0.45) CYP1A2MMP2MMP9MMP8KMT2A
SCHEMBL6608483 0.86 MMP2 (0.45) CYP1A2MMP2MMP9MMP8KMT2A
SCHEMBL6607278 0.85 CYP1A2 (0.42) CYP1A2MMP2MMP9MMP8KMT2A
SCHEMBL6607276 0.85 CYP1A2 (0.42) CYP1A2MMP2MMP9MMP8KMT2A
SCHEMBL6606598 0.85 HDAC4 (0.43) HPGDMMP2MMP9MMP8KMT2A
SCHEMBL6606609 0.85 HDAC4 (0.43) HPGDMMP2MMP9MMP8KMT2A

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-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed