SCHEMBL7314650

SCHEMBL7314650

C=CCc1cc(OCC)c2c(c1O)S(=O)(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.36
ELANE P08246 4/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.34

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
SCHEMBL7309320 0.88 MAPT (0.44) GAAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7306464 0.79 MAPT (0.40) GAAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7305007 0.78 MAPT (0.43) GAAKDM4EALDH1A1MAPTL3MBTL1
Ammonia Solution, Strong SCHEMBL27564485 0.70 CA12 (0.47) GAAKDM4EL3MBTL1TDP1MEN1
SCHEMBL7278186 0.69 ALDH1A1 (0.42) GAAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7312138 0.69 ELANE (0.38) ALDH1A1MAPTL3MBTL1HPGDTDP1
SCHEMBL7309354 0.64 ELANE (0.48) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL7313367 0.64 ELANE (0.42) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL7280180 0.62 ELANE (0.43) GAAKDM4EALDH1A1MAPTL3MBTL1
Phenol SCHEMBL27427788 0.62 ALDH1A1 (0.53) GAAKDM4EALDH1A1MAPTL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874432-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-02-23 US disclosed
US-5650422-A TREATMENT OF EMPHYSEMA, ARTHRITIS OR PANCREATITIS SANOFI (FR) 1997-07-22 US disclosed
US-5596012-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1997-01-21 US disclosed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US disclosed
US-5236917-A Respiratory system disorders, antiarthritic agents STERLING WINTHROP INC. (US) 1993-08-17 US disclosed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed