SCHEMBL8417690

SCHEMBL8417690

CCC(O)OC(=O)C=CC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.54
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
GFPT1 Q06210 1/20 0.40
TSHR P16473 1/20 0.37
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.32

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
SCHEMBL28178149 1.00 HCAR2 (0.54) HCAR2KEAP1NFE2L2GFPT1TSHR
SCHEMBL8417684 1.00 HCAR2 (0.54) HCAR2KEAP1NFE2L2GFPT1TSHR
SCHEMBL301455 0.91 TSHR (0.43) HCAR2KEAP1NFE2L2TSHRATM
SCHEMBL950768 0.91 TSHR (0.43) HCAR2KEAP1NFE2L2TSHRATM
SCHEMBL301454 0.91 TSHR (0.43) HCAR2KEAP1NFE2L2TSHRATM
SCHEMBL8417687 0.84 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1TSHR
SCHEMBL8417691 0.84 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1TSHR
Acetic Acid Methyl Ester SCHEMBL20483629 0.83 HCAR2 (0.48) HCAR2KEAP1NFE2L2GFPT1TSHR
SCHEMBL8641563 0.83 HCAR2 (0.57) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL8641572 0.83 HCAR2 (0.57) HCAR2KEAP1NFE2L2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001892-A (A) UNSATURATED POLYESTER; (B) VINYL ETHER COMPONENT OF GIVEN FORMULA; AND (C) REACTIVE DILUENT COMPRISING AN UNSATURATED DIOIC ESTER OF GIVEN FORMULA, THE DILUENT LOWERS THE INITIAL APPLICATION VISCOSITY WITHOUT INCREASING CURE TIME PPG INDUSTRIES OHO, INC. (US) 1999-12-14 US disclosed
EP-0771331-B1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES INC (US) 1998-08-26 EP disclosed
EP-0856016-A1 UNSATURATED HYDROXY DIESTER COPOLYMERS AND THEIR USE IN COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1998-08-05 EP disclosed
EP-0771331-A1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES, INC. (US) 1997-05-07 EP disclosed
WO-1997013797-A1 UNSATURATED HYDROXY DIESTER COPOLYMERS AND THEIR USE IN COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1997-04-17 WO disclosed
US-5612416-A PROTECTIVE COATINGS FORMED FROM HYDROXY GROUP REACTIVE CURING AGENTS PPG INDUSTRIES, INC. (US) 1997-03-18 US disclosed
WO-1996001283-A1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES, INC. (US) 1996-01-18 WO disclosed