Acrylamide

Acrylamide

SCHEMBL28817070

C=CC(N)=O.CCCS(=O)(=O)O.CCO.CCO.CCO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acrylamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
FGFR4 P22455 1/20 0.44
LMNA P02545 1/20 0.34
SLC6A6 P31641 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
EPHX2 P34913 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
APP P05067 1/20 0.32
ENPEP Q07075 2/20 0.31
HPGD P15428 1/20 0.31
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30

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
Acrylamide SCHEMBL35701 0.96 TSHR (0.48) TSHRALDH1A1FGFR4LMNASLC6A6
Acrylamide SCHEMBL26616208 0.94 TSHR (0.46) TSHRALDH1A1FGFR4LMNASLC6A6
Acrylamide SCHEMBL27699998 0.94 TSHR (0.46) TSHRALDH1A1FGFR4LMNASLC6A6
Acrylamide SCHEMBL2099416 0.84 TSHR (0.44) TSHRALDH1A1FGFR4LMNASLC6A6
SCHEMBL28481099 0.83 LMNA (0.43) TSHRALDH1A1LMNASLC6A6CYP2C19
Acrylamide SCHEMBL2102098 0.83 ALDH1A1 (0.58) TSHRALDH1A1FGFR4LMNASLC6A6
Acrylamide SCHEMBL29113062 0.82 TSHR (0.42) TSHRALDH1A1FGFR4LMNASLC6A6
Acrylamide SCHEMBL2099370 0.82 EPHX2 (0.49) TSHRALDH1A1FGFR4CYP2C19EPHX2
Acrylamide SCHEMBL28005524 0.82 TSHR (0.42) TSHRALDH1A1FGFR4LMNASLC6A6
Acrylic Acid SCHEMBL766910 0.81 LMNA (0.46) TSHRALDH1A1LMNASLC6A6CYP2C19

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-104519856-A Two-phase cosmetic composition and pump bottle containing same OREAL 2015-04-15 CN disclosed