SCHEMBL1781408

SCHEMBL1781408

C=C(C(=O)O)c1ccccc1.C=C(C)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
ELANE P08246 1/20 0.46
MAPT P10636 3/20 0.45
ATM Q13315 2/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.42
AKT1 P31749 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41

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
Acetic Acid SCHEMBL28191909 0.93 CES2 (0.50) CES2CES1ELANEMAPTATM
SCHEMBL44226 0.91 CES1 (0.52) CES2CES1MAPTATMLMNA
Acetamide SCHEMBL28655607 0.89 MAPT (0.50) CES2CES1ELANEMAPTATM
Bromomethane SCHEMBL9278926 0.88 MAPT (0.47) CES2CES1MAPTATMLMNA
SCHEMBL9419398 0.88 TDP1 (0.52) CES2CES1MAPTATMLMNA
SCHEMBL9419356 0.88 CES1 (0.50) CES2CES1MAPTATMLMNA
SCHEMBL28968164 0.88 CES1 (0.50) CES2CES1MAPTATMLMNA
SCHEMBL9419363 0.88 CES1 (0.50) CES2CES1MAPTATMLMNA
SCHEMBL9419391 0.88 CES1 (0.50) CES2CES1MAPTATMLMNA
SCHEMBL9419372 0.88 CES1 (0.50) CES2CES1MAPTATMLMNA

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-20110117332-A1 ACRYLATE RESIN, PHOTORESIST COMPOSITION COMPRISING THE SAME, AND PHOTORESIST PATTERN LG CHEM. LTD. (KR) 2011-05-19 US claimed
US-20110117332-A1 ACRYLATE RESIN, PHOTORESIST COMPOSITION COMPRISING THE SAME, AND PHOTORESIST PATTERN LG CHEM. LTD. (KR) 2011-05-19 US disclosed