SCHEMBL3972956

SCHEMBL3972956

C=C(C)C(=O)OC(=O)c1ccccc1C(=O)OCC=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
TSHR P16473 9/20 0.45
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.38
CA2 P00918 1/20 0.35
CDC25B P30305 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 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
SCHEMBL3459167 0.88 CYP3A4 (0.71) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL5416438 0.86 ALDH1A1 (0.47) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL27820764 0.84 CYP3A4 (0.54) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL2992730 0.84 TSHR (0.45) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL633205 0.83 TSHR (0.68) CYP3A4TSHRALDH1A1HSD17B10TDP1
Ethylene Glycol SCHEMBL4599267 0.81 TSHR (0.44) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL16990763 0.81 ALDH1A1 (0.70) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL3972957 0.81 ALDH1A1 (0.51) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL1236188 0.79 CYP3A4 (0.60) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL19063394 0.78 CYP3A4 (0.35) CYP3A4TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7552740-B2 Method of managing easily polymerizable substance and easily polymerizable substance managing apparatus MITSUBISHI RAYON CO., LTD. (JP) 2009-06-30 US claimed
US-7552740-B2 Method of managing easily polymerizable substance and easily polymerizable substance managing apparatus MITSUBISHI RAYON CO., LTD. (JP) 2009-06-30 US disclosed
US-7332213-B2 Multilayer laminatel variations in refractive index of layers TORAY INDUSTRIES, INC. (JP) 2008-02-19 US disclosed
US-20070240366-A1 Composition for Polishing NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2007-10-18 US disclosed
EP-1747849-A1 COMPOSITION FOR POLISHING Nissan Chemical Industries, Ltd. (JP) 2007-01-31 EP disclosed
US-20050252557-A1 Method of managing easily polymerizable substance and easily polymerizable substance managing apparatus MITSUBISHI RAYON CO., LTD (JP) 2005-11-17 US disclosed
US-20050008863-A1 Hardcoat film, antireflection film and equipment for display TORAY INDUSTRIES, INC. (JP) 2005-01-13 US disclosed
EP-1494049-A2 Hardcoat film, antireflection film and equipment for display TORAY INDUSTRIES, INC. (JP) 2005-01-05 EP disclosed
US-6333368-B1 CURABLE RESIN FOR WATER BASED PAINTS WITH DISPERSION OR DISSOLVING WATER IN VINYL POLYMER WITH TERT AMINO AND ACID FUNCTIONS, COMPOUND B WITH EPOXY AND HYDROLYZABLE SILYL GROUPS DAINIPPON INK & CHEMICALS, INC. (JP) 2001-12-25 US disclosed
US-6294103-B1 Use of amphiphilic copolymers containing a fluorinated monomer to impart waterproofness to leather 3M INNOVATIVE PROPERTIES COMPANY 2001-09-25 US disclosed
WO-1998020170-A1 USE OF AMPHIPHILIC COPOLYMERS CONTAINING A FLUORINATED MONOMER TO IMPART WATERPROOFNESS TO LEATHER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-05-14 WO disclosed
EP-0376350-A2 Two-solution acrylic adhesive composition National Starch and Chemical Investment Holding Corporation (US) 1990-07-04 EP disclosed