SCHEMBL28193580

SCHEMBL28193580

CCC(=O)CC.Cc1cccc(O)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.68
ATM Q13315 1/20 0.68
IAPP P10997 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
GABRA1 P14867 2/20 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
Orthocresol SCHEMBL28097625 0.83 IAPP (0.46) TRPA1ATMIAPPCA12CA1
Bicarbonate SCHEMBL27605791 0.83 TRPA1 (0.81) TRPA1ATMCA12CA1CA2
Alcohol SCHEMBL29058682 0.83 TRPA1 (0.81) TRPA1ATMCA12CA1CA2
Butane SCHEMBL27829871 0.83 TRPA1 (0.81) TRPA1ATMCA12CA1CA2
SCHEMBL3498 0.82
SCHEMBL5940935 0.82 TRPA1 (1.00) TRPA1ATMCA12CA1CA2
SCHEMBL29622820 0.82
Oxalic Acid SCHEMBL28473849 0.81 TRPA1 (0.77) TRPA1ATMCA12CA1CA2
Acetic Acid SCHEMBL28437480 0.81 TRPA1 (0.77) TRPA1ATMCA12CA1CA2
Urea SCHEMBL27830499 0.81 TRPA1 (0.77) TRPA1ATMCA12CA1CA2

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-107492505-A Manufacture the method for semiconductor packages and the carrier band film for it 三星电子株式会社 2017-12-19 CN claimed