SCHEMBL25899689

SCHEMBL25899689

C=Cc1ccc(OC)c(C(=O)OC(C)(C)c2ccc(C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
APP P05067 1/20 0.36
CXCL12 P48061 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
AOX1 Q06278 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL25899696 0.90 TRPA1 (0.40) TRPA1ABCG2L3MBTL1KMT2AALDH1A1
SCHEMBL25899693 0.90 SMN1; SMN2 (0.41) TRPA1ABCG2L3MBTL1KMT2AALDH1A1
SCHEMBL25901057 0.87 PTGS2 (0.40) TRPA1MAPT
SCHEMBL25899548 0.84 TRPA1 (0.49) TRPA1ABCG2KMT2AALDH1A1KDM4E
SCHEMBL23812289 0.82 TUBB4A (0.43) ABCG2KMT2AALDH1A1KDM4EPDE4A
SCHEMBL25899670 0.81 TRPA1 (0.46) TRPA1ABCG2KMT2AALDH1A1KDM4E
SCHEMBL25899671 0.81 TRPA1 (0.46) TRPA1ABCG2KMT2AALDH1A1KDM4E
SCHEMBL24985033 0.80 TDP1 (0.42) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL23812292 0.78 KDM4E (0.37) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL23812287 0.78 HSD17B10 (0.41) ALDH1A1KDM4EHPGDMAPTGAA

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