SCHEMBL7315832

SCHEMBL7315832

O=C1[C]=Cc2cccc3cccc1c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CES2 O00748 1/20 0.50
BCHE P06276 1/20 0.50
CES1 P23141 1/20 0.50
MCL1 Q07820 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
PABPC1 P11940 3/20 0.44
DNMT1 P26358 2/20 0.44
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
TYMS P04818 5/20 0.42
PARP1 P09874 1/20 0.41
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
S100A4 P26447 1/20 0.38

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
SCHEMBL670373 0.76 EHMT2 (0.40) ALDH1A1CES2BCHECES1MEN1
SCHEMBL725425 0.72 MEN1 (0.45) ALDH1A1CES2BCHECES1MCL1
SCHEMBL2865 0.70 ALDH1A1 (0.39) ALDH1A1CES2BCHECES1MCL1
SCHEMBL18803237 0.68 ALDH1A1 (0.89) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL2156555 0.68 ALDH1A1 (1.00) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL29586645 0.68 ALDH1A1 (1.00) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL141538 0.68 ALDH1A1 (1.00) ALDH1A1CES2BCHECES1MCL1
Perinaphthenone SCHEMBL29408331 0.67 ALDH1A1 (0.54) ALDH1A1CES2BCHECES1MCL1
Perinaphthenone SCHEMBL188491 0.67 ALDH1A1 (0.54) ALDH1A1CES2BCHECES1MCL1
SCHEMBL3170865 0.67 GSTP1 (0.34) ALDH1A1CES2BCHECES1MCL1

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 27 patents — showing the first 20. 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 claimed
EP-0471756-B1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF SANOFI SA (FR) 1997-10-29 EP claimed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0471756-A4 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF 1992-04-08 EP claimed
EP-0471756-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF. STERLING WINTHROP INC (US) 1992-02-26 EP claimed
WO-1990013549-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1990-11-15 WO claimed
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-5874432-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-02-23 US disclosed
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
EP-0471756-B1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF SANOFI SA (FR) 1997-10-29 EP disclosed
US-5650422-A TREATMENT OF EMPHYSEMA, ARTHRITIS OR PANCREATITIS SANOFI (FR) 1997-07-22 US disclosed
US-5650422-A TREATMENT OF EMPHYSEMA, ARTHRITIS OR PANCREATITIS SANOFI (FR) 1997-07-22 US disclosed
EP-0549073-B1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI SA (FR) 1997-03-26 EP disclosed
US-5236917-A Respiratory system disorders, antiarthritic agents STERLING WINTHROP INC. (US) 1993-08-17 US disclosed
US-5236917-A Respiratory system disorders, antiarthritic agents STERLING WINTHROP INC. (US) 1993-08-17 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed
EP-0471756-A4 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF 1992-04-08 EP disclosed
EP-0471756-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF. STERLING WINTHROP INC (US) 1992-02-26 EP disclosed
WO-1990013549-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1990-11-15 WO disclosed