SCHEMBL28031022

SCHEMBL28031022

CC(C(=O)O)=C(C)C(Cc1ccccc1)=C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
CTBP2 P56545 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.41
PAM P19021 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27743699 0.90 CES1 (0.52) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL166471 0.90 CES1 (0.52) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL304634 0.88 CES1 (0.50) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL304636 0.88 CES1 (0.50) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL27715782 0.82 CYP2C9 (0.50) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL6516505 0.79 CES2 (0.45) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL6516498 0.79 CES2 (0.45) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL10932286 0.79 CES1 (0.54) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL15166806 0.79 CES1 (0.54) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL10700398 0.79 CES1 (0.54) CES1CES2AKR1B1CTBP2ALDH1A1

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
CN-105026489-A (Meth)acrylate-based resin composition having excellent impact resistance and transparency LG CHEMICAL LTD 2015-11-04 CN disclosed