SCHEMBL8446641

SCHEMBL8446641

COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#Cc2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.64
MMP2 P08253 6/20 0.53
MMP3 P08254 3/20 0.53
MMP13 P45452 3/20 0.53
TSHR P16473 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MMP1 P03956 1/20 0.47
MMP7 P09237 1/20 0.47
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7138463 0.91 TSHR (0.58) MMP9MMP2MMP3MMP13TSHR
SCHEMBL7889040 0.91 TSHR (0.58) MMP9MMP2MMP3MMP13TSHR
SCHEMBL25269775 0.91 TSHR (0.58) MMP9MMP2MMP3MMP13TSHR
SCHEMBL8445733 0.87 MMP9 (0.49) MMP9MMP2MMP3MMP13MMP1
SCHEMBL8450035 0.87 MMP9 (0.58) MMP9MMP2MMP3MMP13TSHR
SCHEMBL8449978 0.87 MMP9 (0.58) MMP9MMP2MMP3MMP13TSHR
SCHEMBL8449004 0.86 MMP9 (0.75) MMP9MMP2MMP3MMP13TSHR
SCHEMBL8450205 0.86 MMP9 (0.75) MMP9MMP2MMP3MMP13TSHR
SCHEMBL8446571 0.83 MMP9 (0.64) MMP9MMP2MMP3MMP13TSHR
SCHEMBL8446612 0.83 MMP9 (0.64) MMP9MMP2MMP3MMP13TSHR

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-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP disclosed