SCHEMBL28810967

SCHEMBL28810967

CCCCC(=O)C=O.O=[SH](=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
CES1 P23141 6/20 0.44
CES2 O00748 5/20 0.44
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.39
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
IAPP P10997 2/20 0.36
AKR1B1 P15121 1/20 0.36
HSP90AA1 P07900 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
TSHR P16473 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
PPARD Q03181 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
SCHEMBL402698 0.91
SCHEMBL29159260 0.88
SCHEMBL5152546 0.88
SCHEMBL27545307 0.88
Water SCHEMBL28890412 0.88
SCHEMBL433931 0.83
1,2-Dichloroethane SCHEMBL27700927 0.82 ALDH1A1 (0.46) TRPA1CES1CES2ALDH1A1TP53
Ethylene SCHEMBL27681886 0.82 TRPA1 (0.45) TRPA1CES1CES2ALDH1A1TP53
SCHEMBL14783886 0.82 ALDH1A1 (0.46) TRPA1CES1CES2ALDH1A1TP53
SCHEMBL7065108 0.81 TRPA1 (0.59) TRPA1CES1CES2ALDH1A1HSP90AA1

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-103717695-A Surface protection film NITTO DENKO CORP 2014-04-09 CN disclosed