SCHEMBL9596098

SCHEMBL9596098

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
PLAU P00749 1/20 0.50
HPN P05981 1/20 0.50
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6795703 0.86 CTSL (0.53) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8133560 0.84 MMP1 (0.51) TDP1MMP1MMP2MMP3MMP7
SCHEMBL8998137 0.84 BACE1 (0.50) TDP1MMP1MMP2MMP3MMP7
SCHEMBL9595491 0.82 MMP13 (0.50) MMP1MMP2MMP3MMP7MMP9
SCHEMBL9594962 0.82 MMP2 (0.50) MMP1MMP2MMP3MMP7MMP9
SCHEMBL9132706 0.81 MMP1 (0.49) MMP1MMP2MMP3MMP7MMP9
SCHEMBL29827373 0.79 KMT2A (0.58) TDP1MMP1MMP2MMP3MMP7
SCHEMBL7473031 0.78 CA2 (0.49) TDP1MMP1MMP2MMP3MMP7
SCHEMBL7413143 0.78 CA2 (0.49) TDP1MMP1MMP2MMP3MMP7
SCHEMBL6799810 0.77 MEN1 (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 3 patents. 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 claimed
WO-1993015047-A1 AMINO ACID DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-08-05 WO disclosed
WO-1993001174-A1 THIAZOLIDINE DERIVATIVES AND THEIR USE AS ANTI-VIRAL COMPOUNDS GLAXO GROUP LIMITED (GB) 1993-01-21 WO disclosed