SCHEMBL1722654

SCHEMBL1722654

CC(C)(O)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.49
USP30 Q70CQ3 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
CA12 O43570 2/20 0.46
IDH2 P48735 1/20 0.46
LMNA P02545 1/20 0.45
PARG Q86W56 1/20 0.45
CA9 Q16790 1/20 0.45
NR1H2 P55055 1/20 0.45
CYP3A4 P08684 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
SCHEMBL28713447 0.85 SMN1; SMN2 (0.63) UCHL1USP30ALDH1A1MMP2MMP9
SCHEMBL1711795 0.81 UCHL1 (0.54) UCHL1USP30ALDH1A1MMP2MMP9
SCHEMBL1723222 0.81 UCHL1 (0.54) UCHL1USP30ALDH1A1MMP2MMP9
SCHEMBL23052370 0.79 KDM4E (0.76) UCHL1USP30ALDH1A1MMP2MMP9
SCHEMBL2195659 0.78 MAP2K4 (0.47) ALDH1A1SMN1; SMN2SLC22A12IDH2LMNA
SCHEMBL2195671 0.78 MAP2K4 (0.47) ALDH1A1SMN1; SMN2SLC22A12IDH2LMNA
SCHEMBL2195764 0.78 MAP2K4 (0.47) ALDH1A1SMN1; SMN2SLC22A12IDH2LMNA
SCHEMBL16863965 0.78 UCHL1 (0.49) UCHL1USP30ALDH1A1MMP2MMP9
SCHEMBL12418061 0.78 KDM4E (0.73) UCHL1USP30ALDH1A1MMP2MMP9
SCHEMBL12418055 0.78 KDM4E (0.73) UCHL1USP30ALDH1A1MMP2MMP9

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-2344449-A1 ARYL-PHENYL-SULFONAMIDO-CYCLOALKYL COMPOUNDS AND THEIR USE Pimco 2664 Limited (GB) 2011-07-20 EP disclosed