SCHEMBL25899696

SCHEMBL25899696

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
APP P05067 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.38
CXCL12 P48061 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
ALDH1A1 P00352 3/20 0.35
AOX1 Q06278 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
NPY1R P25929 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
SCHEMBL25899689 0.90 TRPA1 (0.42) TRPA1APPABCG2CXCL12L3MBTL1
SCHEMBL25899693 0.88 SMN1; SMN2 (0.41) TRPA1ABCG2CXCL12L3MBTL1KMT2A
SCHEMBL25896432 0.86 PTGS2 (0.39) TRPA1APPCXCL12TRPV1
SCHEMBL25899548 0.82 TRPA1 (0.49) TRPA1APPABCG2KMT2APDE4A
SCHEMBL23812289 0.80 TUBB4A (0.43) ABCG2KMT2APDE4APDE4BPDE4C
SCHEMBL25899671 0.79 TRPA1 (0.46) TRPA1APPABCG2KMT2APDE4A
SCHEMBL25899670 0.79 TRPA1 (0.46) TRPA1APPABCG2KMT2APDE4A
SCHEMBL25896426 0.79 ALDH1A1 (0.38) CXCL12TRPV1ALDH1A1
SCHEMBL25901057 0.78 PTGS2 (0.40) TRPA1MAPT
SCHEMBL23812292 0.76 KDM4E (0.37) KMT2AALDH1A1MAPTKDM4ELMNA

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