SCHEMBL25899671

SCHEMBL25899671

C=Cc1ccc(OC)c(C(=O)OC(C)(C=C)C=C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.43
KMT2A Q03164 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
APP P05067 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
AOX1 Q06278 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL25899670 0.89 TRPA1 (0.46) TRPA1ABCG2KMT2APDE4APDE4B
SCHEMBL25899548 0.88 TRPA1 (0.49) TRPA1ABCG2KMT2APDE4APDE4B
SCHEMBL25899689 0.81 TRPA1 (0.42) TRPA1ABCG2KMT2APDE4APDE4B
SCHEMBL25899696 0.79 TRPA1 (0.40) TRPA1ABCG2KMT2APDE4APDE4B
SCHEMBL25899693 0.79 SMN1; SMN2 (0.41) TRPA1ABCG2KMT2AKDM4EALDH1A1
SCHEMBL25899522 0.79 APP (0.58) TRPA1ABCG2KMT2AAPPKDM4E
SCHEMBL12505513 0.77 TRPA1 (0.53) TRPA1ABCG2KMT2APDE4APDE4B
SCHEMBL23812297 0.75 CFD (0.40) TRPA1KMT2AKDM4EALDH1A1GAA
SCHEMBL30394977 0.75 ALDH1A1 (0.54) ABCG2KMT2AKDM4EALDH1A1TDP1
SCHEMBL6504372 0.75 ALDH1A1 (0.54) ABCG2KMT2AKDM4EALDH1A1TDP1

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
WO-2023140364-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, COMPOUND, AND POLYMER 東京応化工業株式会社 2023-07-27 WO disclosed