SCHEMBL5772033

SCHEMBL5772033

CCc1cccc(C(=O)OC)c1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.50
TSHR P16473 2/20 0.48
HSD17B10 Q99714 3/20 0.47
CFTR P13569 1/20 0.47
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.45
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 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
SCHEMBL8955760 0.89 ALDH1A1 (0.49) CA1CA2CA9CA12CA7
SCHEMBL3667908 0.89 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL10484451 0.89 ALDH1A1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL8478378 0.87 ALDH1A1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL8478375 0.87 ALDH1A1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL1424324 0.86 ALDH1A1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL1962306 0.86 ALDH1A1 (0.49) CA1CA2CA9CA12CA7
SCHEMBL31212857 0.85 PPARA (0.50) CA1CA2CA9CA12CA7
SCHEMBL28551648 0.85 TSHR (0.50) ALDH1A1LMNAHTTTSHRHSD17B10
Hydrochloric Acid SCHEMBL1962304 0.84 ALDH1A1 (0.47) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4689385-A RESISTANT TO CHEMICAL WARFARE AGENTS HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY MINISTER OF NATIONAL DEFENCE OF HER MAJESTY'S CANADIAN GOVERNMENT (CA) 1987-08-25 US claimed
US-10119037-B2 Cellulose acetate wood filler compositions ACETATE INTERNATIONAL LLP (US) 2018-11-06 US disclosed
EP-3387062-A2 CELLULOSE ACETATE FILM FORMING COMPOSITIONS Acetate International LLC (US) 2018-10-17 EP disclosed
EP-3387083-A2 CELLULOSE ACETATE WOOD FILLER COMPOSITIONS Acetate International LLC (US) 2018-10-17 EP disclosed
WO-2017100159-A2 CELLULOSE ACETATE FILM FORMING COMPOSITIONS CELANESE INTERNATIONAL CORPORATION (US) 2017-06-15 WO disclosed
WO-2017100156-A2 CELLULOSE ACETATE WOOD FILLER COMPOSITIONS CELANESE INTERNATIONAL CORPORATION (US) 2017-06-15 WO disclosed
US-20170158881-A1 CELLULOSE ACETATE WOOD FILLER COMPOSITIONS ACETATE INTERNATIONAL LLC 2017-06-08 US disclosed
US-20170158901-A1 CELLULOSE ACETATE FILM FORMING COMPOSITIONS ACETATE INTERNATIONAL LLC 2017-06-08 US disclosed
US-7081423-B2 Nonwoven absorbent materials made with cellulose ester containing bicomponent fibers CELANESE ACETATE LLC (US) 2006-07-25 US disclosed
US-20020177379-A1 Nonwoven absorbent materials made with cellulose ester containing bicomponent fibers CELANESE ACETATE LLC 2002-11-28 US disclosed
EP-0690112-A1 Cyanoacrylate adhesive compositions TAOKA CHEMICAL COMPANY, LIMITED (JP) 1996-01-03 EP disclosed
US-4689385-A RESISTANT TO CHEMICAL WARFARE AGENTS HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY MINISTER OF NATIONAL DEFENCE OF HER MAJESTY'S CANADIAN GOVERNMENT (CA) 1987-08-25 US disclosed
US-4189511-A FOR CIGARETTES, POLYOLEFIN WEB COATED WITH CELLULOSE ACETATE CELANESE CORPORATION (US) 1980-02-19 US disclosed
US-4007745-A Filter CELANESE CORPORATION (US) 1977-02-15 US disclosed