SCHEMBL31380876

SCHEMBL31380876

C=Cc1ccc(O)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
ALOX15 P16050 1/20 0.50
PRMT1 Q99873 1/20 0.49
EP300 Q09472 1/20 0.47
AMY1A P0DUB6 1/20 0.47
CISD1 Q9NZ45 2/20 0.45
ALDH1A1 P00352 1/20 0.43
PTP4A3 O75365 1/20 0.43
PTP4A1 Q93096 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSD17B3 P37058 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
LCK P06239 1/20 0.39

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
SCHEMBL2885475 1.00 TRPA1 (0.52) TRPA1ALOX15PRMT1EP300AMY1A
SCHEMBL9305646 0.82 AKR1C3 (0.53) TRPA1ALOX15ALDH1A1KMT2AMEN1
SCHEMBL22593477 0.79 PRMT1 (0.51) TRPA1ALOX15PRMT1EP300AMY1A
SCHEMBL2788648 0.78 ALDH1A1 (0.50) TRPA1ALDH1A1PKM
SCHEMBL29403669 0.78 LCK (0.64) TRPA1ALOX15AMY1AALDH1A1KMT2A
SCHEMBL170797 0.78 LCK (0.64) TRPA1ALOX15AMY1AALDH1A1KMT2A
SCHEMBL216068 0.78 TRPA1 (0.44) TRPA1ALOX15PRMT1EP300AMY1A
SCHEMBL29713168 0.77 KDM4E (0.64) ALOX15PRMT1EP300AMY1ACISD1
SCHEMBL190410 0.77 KDM4E (0.64) ALOX15PRMT1EP300AMY1ACISD1
SCHEMBL3757653 0.76 AMY1A (0.50) TRPA1ALOX15PRMT1EP300AMY1A

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-119709577-A Recombinant strain for expressing phenolic acid decarboxylase as well as construction method and application thereof 南京工业大学 2025-03-28 CN disclosed