SCHEMBL5772028

SCHEMBL5772028

CCOC(=O)c1ccc(C)c(C)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.42
CDC25B P30305 1/20 0.42
USP2 O75604 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL301812 0.89 TSHR (0.55) TSHRCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL28219343 0.88 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL27476699 0.88 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL302697 0.86 TSHR (0.55) TSHRALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28994398 0.85 TSHR (0.56) TSHRALDH1A1HSD17B10LMNAMAPT
SCHEMBL28222952 0.84 TSHR (0.57) TSHRCA12CA1CA2CA7
SCHEMBL28994380 0.84 ALDH1A1 (0.57) TSHRALDH1A1HSD17B10LMNAMAPT
SCHEMBL3689459 0.83 CYP3A4 (0.53) TSHRCA1CA2ALDH1A1HSD17B10
SCHEMBL3969049 0.82 CA12 (0.42) TSHRCA12CA1CA2CA7
SCHEMBL5274828 0.82 TSHR (0.59) TSHRCA12CA1CA2CA7

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 13 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-2017100156-A2 CELLULOSE ACETATE WOOD FILLER COMPOSITIONS CELANESE INTERNATIONAL CORPORATION (US) 2017-06-15 WO disclosed
WO-2017100159-A2 CELLULOSE ACETATE FILM FORMING 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
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