Acrylic Acid

Acrylic Acid

SCHEMBL7187166

C=CC#N.C=CC(=O)O.C=CC(=O)OCC(CC)CCCC

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.76
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
CA2 P00918 3/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 2/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34

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
Acrylonitrile SCHEMBL7720260 0.96 TSHR (0.83) TSHRALDH1A1LMNAMAPK1CYP3A4
Acrylonitrile SCHEMBL2537152 0.93 TSHR (0.78) TSHRALDH1A1LMNAMAPK1CYP3A4
Acrylic Acid SCHEMBL2282780 0.92 TSHR (0.91) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL14869 0.87 TSHR (1.00) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL20609794 0.87 TSHR (1.00) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL16765797 0.87 TSHR (1.00) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL29596375 0.87 TSHR (1.00) TSHRALDH1A1LMNAMAPK1CYP3A4
Acrylic Acid SCHEMBL3844152 0.86 TSHR (0.81) TSHRALDH1A1LMNAMAPK1CYP3A4
Acrylic Acid Methyl Ester SCHEMBL9719491 0.86 TSHR (0.81) TSHRALDH1A1LMNAMAPK1CYP3A4
Acrylic Acid SCHEMBL7263337 0.86 TSHR (0.81) TSHRALDH1A1LMNAMAPK1CYP3A4

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-20030039886-A1 Modified lithium ion polymer battery HIGH ENERGY BATTERY CO., LTD. (TW) 2003-02-27 US disclosed