SCHEMBL9595462

SCHEMBL9595462

COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
MMP9 P14780 1/20 0.53
MMP13 P45452 1/20 0.53
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
AIMP2 Q13155 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL8133560 0.90 MMP1 (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8563675 0.86 MMP2 (0.47) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8569264 0.86 MMP2 (0.47) MMP1MMP2MMP3MMP7MMP9
SCHEMBL29827373 0.85 KMT2A (0.58) MMP1MMP2MMP3MMP7MMP9
SCHEMBL25295317 0.84 L3MBTL1 (0.60) MMP1MMP2MMP3MMP7MMP9
SCHEMBL25295316 0.84 L3MBTL1 (0.60) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8133802 0.81 ADAMTS4 (0.53) MMP1MMP2MMP3MMP7MMP9
SCHEMBL29521449 0.81 MMP2 (0.52) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8583079 0.80 MMP2 (0.45) MMP1MMP2MMP3MMP7MMP9
SCHEMBL9132706 0.80 MMP1 (0.49) MMP1MMP2MMP3MMP7MMP9

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-1993015047-A1 AMINO ACID DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-08-05 WO disclosed