SCHEMBL8416540

SCHEMBL8416540

COC(C)OC(=O)C=CC(=O)OCCO

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 9/20 0.39
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL9135761 0.83 HCAR2 (0.55) TSHRATMHCAR2LMNATDP1
SCHEMBL3516696 0.83 HCAR2 (0.55) TSHRATMHCAR2LMNATDP1
SCHEMBL560323 0.83 ATM (0.67) TSHRATMHCAR2LMNATDP1
SCHEMBL560321 0.83 ATM (0.67) TSHRATMHCAR2LMNATDP1
SCHEMBL5282073 0.83 TSHR (0.63) TSHRALDH1A1
SCHEMBL560711 0.83 ATM (0.67) TSHRATMHCAR2LMNATDP1
SCHEMBL2890669 0.82 HCAR2 (0.50) TSHRATMHCAR2MAPTKEAP1
SCHEMBL2899497 0.82 HCAR2 (0.50) TSHRATMHCAR2MAPTKEAP1
SCHEMBL8416578 0.82 HCAR2 (0.50) TSHRATMHCAR2MAPTKEAP1
SCHEMBL216328 0.78 TSHR (0.64) TSHRATMHCAR2MAPTRAB9A

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 4 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-0771331-A1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES, INC. (US) 1997-05-07 EP disclosed
WO-1996001283-A1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES, INC. (US) 1996-01-18 WO disclosed