SCHEMBL25540893

SCHEMBL25540893

Cc1ccc2ccc(O)c(Cc3c(O)ccc4ccc(O)cc34)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MCL1 Q07820 1/20 0.41
TRPA1 O75762 1/20 0.41
SIRT1 Q96EB6 4/20 0.40
NQO1 P15559 1/20 0.40
AMY1A P0DUB6 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
CYP2A6 P11509 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAD52 P43351 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL597071 0.89 HSD17B10 (0.61) CYP1A2HSD17B10CYP2C9CYP2C19MCL1
SCHEMBL29746434 0.89 HSD17B10 (0.61) CYP1A2HSD17B10CYP2C9CYP2C19MCL1
SCHEMBL6125370 0.86 CYP1A2 (0.50) CYP1A2HSD17B10CYP2C9CYP2C19MCL1
SCHEMBL1031111 0.81 HSD17B10 (0.79) CYP1A2HSD17B10CYP2C9CYP2C19SIRT1
SCHEMBL18328319 0.80 TRPA1 (0.45) CYP1A2HSD17B10CYP2C9CYP2C19TRPA1
SCHEMBL19038966 0.79 CYP1A2 (0.48) CYP1A2HSD17B10CYP2C9CYP2C19MEN1
SCHEMBL30220142 0.78 ESR1 (0.45) CYP1A2HSD17B10CYP2C9CYP2C19MCL1
SCHEMBL2185013 0.78 ESR1 (0.45) CYP1A2HSD17B10CYP2C9CYP2C19MCL1
SCHEMBL21360634 0.76 CA1 (0.53) CYP1A2HSD17B10CYP2C9CYP2C19TRPA1
SCHEMBL10333970 0.75 GAA (0.63) HSD17B10TRPA1TDP1MEN1KMT2A

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-2023095615-A1 EPOXY RESIN COMPOSITION, CURED PRODUCT THEREOF, AND LAMINATE DIC株式会社 2023-06-01 WO disclosed