SCHEMBL24635017

SCHEMBL24635017

CC(=O)c1cc(-c2ccc3c(c2)C(=O)OC3=O)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.45
CA12 O43570 5/20 0.44
CA7 P43166 5/20 0.44
CA1 P00915 4/20 0.44
CA4 P22748 2/20 0.44
CA2 P00918 2/20 0.41
CA9 Q16790 1/20 0.41
CFD P00746 1/20 0.41
CHEK1 O14757 3/20 0.40
HSD11B1 P28845 1/20 0.40
MCL1 Q07820 4/20 0.39
ACMSD Q8TDX5 3/20 0.39
HNF4A P41235 2/20 0.39
DHFR P00374 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTPN1 P18031 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
SCHEMBL17167769 0.94 TYMS (0.45) TYMSCA12CA7CA1CA4
SCHEMBL20810375 0.92 CHEK1 (0.42) TYMSCA12CA7CA1CA4
SCHEMBL1142632 0.91 TYMS (0.50) TYMSCA12CA7CA1CA4
SCHEMBL1246295 0.89 TYMS (0.49) TYMSCA12CA7CA1CA4
SCHEMBL1245664 0.86 TYMS (0.50) TYMSCA12CA7CA1CA4
Pyromellitic Acid SCHEMBL10568706 0.84 CA12 (0.50) TYMSCA12CA7CA1CA4
SCHEMBL15431055 0.83 CA12 (0.49) TYMSCA12CA7CA1CA4
SCHEMBL13098775 0.82 CFD (0.55) CFDMCL1ACMSDHNF4ADHFR
SCHEMBL24791187 0.81 TYMS (0.42) TYMSCA12CA7CA1CA4
SCHEMBL10019515 0.81 CA12 (0.47) TYMSCA12CA7CA1CA4

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-2022196410-A1 ELECTROCONDUCTIVE SILICONE COMPOSITION, ELECTROCONDUCTIVE SILICONE CURED PRODUCT AND LAMINATE 信越化学工業株式会社 2022-09-22 WO disclosed