SCHEMBL3030718

SCHEMBL3030718

CC(C(=O)O)=C(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
SLC7A5 Q01650 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
ATM Q13315 1/20 0.36
ELANE P08246 3/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL11583064 0.82 CES2 (0.43) TDP1TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL28289042 0.81 TDP1 (0.44) TDP1TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL19464085 0.78 TDP1 (0.48) TDP1TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL162761 0.77 CES1 (0.50) TDP1TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL8466096 0.77 CES1 (0.50) TDP1TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL8466095 0.77 CES1 (0.50) TDP1TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL27563839 0.76 TDP1 (0.43) TDP1TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL8752596 0.76 CES2 (0.52) TDP1TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL17552375 0.75 TSHR (0.46) TDP1TSHRALDH1A1HSD17B10CYP1A2
SCHEMBL10770600 0.75 CES2 (0.50) TDP1TSHRALDH1A1HSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7785501-B2 Black resin composition for display device, and member for display device DAI NIPPON PRINTING CO., LTD. (JP) 2010-08-31 US disclosed
US-20080318018-A1 Black Resin Composition for Display Device, and Member for Display Device DAI NIPPON PRINTING CO., LTD. (JP) 2008-12-25 US disclosed