SCHEMBL9350283

SCHEMBL9350283

O=C1c2cc(O)c(O)cc2C(=O)c2c1ccc(O)c2O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.76
MCL1 Q07820 7/20 0.71
MEN1 O00255 6/20 0.71
MAPT P10636 6/20 0.71
KMT2A Q03164 6/20 0.71
MAOA P21397 6/20 0.71
BCL2 P10415 6/20 0.71
ALDH1A1 P00352 4/20 0.71
MAPK1 P28482 4/20 0.71
KDM4E B2RXH2 3/20 0.71
CYP3A4 P08684 3/20 0.71
HPGD P15428 3/20 0.71
ALOX15 P16050 3/20 0.71
RECQL P46063 3/20 0.71
HSD17B10 Q99714 3/20 0.71
APEX1 P27695 2/20 0.71
ALOX12 P18054 2/20 0.71
DAPK1 P53355 2/20 0.71
CYP1B1 Q16678 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71

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
SCHEMBL31253344 0.92 TTR (0.65) TTRMCL1MEN1MAPTKMT2A
SCHEMBL31177135 0.92 TTR (0.65) TTRMCL1MEN1MAPTKMT2A
SCHEMBL7984672 0.92 TTR (0.65) TTRMCL1MEN1MAPTKMT2A
SCHEMBL2772226 0.89 MAPT (0.86) TTRMCL1MEN1MAPTKMT2A
SCHEMBL6904748 0.87 MAPT (0.83) TTRMCL1MEN1MAPTKMT2A
SCHEMBL1507679 0.86 TTR (1.00) TTRMCL1MEN1MAPTKMT2A
SCHEMBL13064957 0.86 TTR (0.74) TTRMCL1MEN1MAPTKMT2A
SCHEMBL30695846 0.86 TTR (1.00) TTRMCL1MEN1MAPTKMT2A
SCHEMBL1495097 0.86 TTR (1.00) TTRMCL1MEN1MAPTKMT2A
SCHEMBL30695849 0.86 TTR (1.00) TTRMCL1MEN1MAPTKMT2A

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
EP-0320227-B1 Method of preventing polymer-scale formation SHINETSU CHEMICAL CO (JP) 1994-09-07 EP disclosed
US-4933399-A COATING INSIDE OF VESSEL WITH A CATIONIC DYE, DRYING, COATING WITH AN ANIONIC OR AMPHOTERIC POLYMER OR A HYDROXYL-CONTAINING COMPOUND IN A SOLVENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-06-12 US disclosed