SCHEMBL29953635

SCHEMBL29953635

Cc1ccc(O)c(B(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.56
TP53 P04637 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 4/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
CSNK2A1 P68400 1/20 0.45
CA2 P00918 1/20 0.44
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
AMY1A P0DUB6 1/20 0.42
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL2823017 1.00 TRPA1 (0.56) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL12394515 0.83 TRPA1 (0.54) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL1684521 0.80 TRPA1 (0.56) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL7776306 0.80 TRPA1 (0.56) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL3460112 0.77 ALDH1A1 (0.44) TP53TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL29349417 0.77 CA2 (0.46) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL513136 0.77 CA2 (0.46) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL16426121 0.75 ENPP2 (0.46) ALDH1A1CA2LPLLIPGKDM4E
SCHEMBL1372258 0.73 CA2 (0.42) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL391628 0.73 CA2 (0.42) TRPA1TP53TDP1ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613428-A Preparation method of high-sensitivity reversible thermochromic fluorane dye and compound 江南大学 2025-03-14 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed