SCHEMBL14045487

SCHEMBL14045487

C=CN(C=O)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 3/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
DEPTOR Q8TB45 1/20 0.37
RECQL P46063 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6405803 0.90 AKT1 (0.52) AKT1ALDH1A1TDP1MAPK1TSHR
SCHEMBL27463521 0.87 TDP1 (0.50) AKT1ALDH1A1TDP1MAPK1TSHR
SCHEMBL20492517 0.77 AKT1 (0.52) AKT1ALDH1A1TDP1MAPK1TSHR
SCHEMBL7315142 0.75 AKT1 (0.50) AKT1ALDH1A1TDP1MAPK1TSHR
SCHEMBL11583231 0.74 TDP1 (0.56) AKT1ALDH1A1TDP1MAPK1TSHR
SCHEMBL7327451 0.73 AKT1 (0.48) AKT1ALDH1A1TDP1MAPK1TSHR
SCHEMBL2134534 0.73 AKT1 (0.48) AKT1ALDH1A1TSHRCES2CES1
SCHEMBL7313020 0.73 AKT1 (0.48) AKT1ALDH1A1TDP1MAPK1TSHR
SCHEMBL15200615 0.73 CES2 (0.47) ALDH1A1TDP1TSHRCES2CES1
SCHEMBL17988374 0.73 CES2 (0.48) ALDH1A1MAPK1CES2CES1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080241427-A1 Optical retardation compensation film having positive C-plate and at least one negative C-plate; LCD device; optical switches and waveguides AKRON POLYMER SYSTEMS 2008-10-02 US disclosed