SCHEMBL8848845

SCHEMBL8848845

COC#CCc1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
RECQL P46063 2/20 0.45
KMT2A Q03164 2/20 0.45
TTR P02766 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
XDH P47989 1/20 0.42
CA12 O43570 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
SCHEMBL12776819 0.78 GPR35 (0.56) GPR35MEN1ALDH1A1MAPTHPGD
SCHEMBL8848416 0.73 TTR (0.58) GPR35MEN1ALDH1A1MAPTHPGD
SCHEMBL8848721 0.72 TTR (0.56) GPR35MEN1ALDH1A1MAPTHPGD
SCHEMBL8848361 0.72 TTR (0.56) GPR35MEN1ALDH1A1MAPTHPGD
SCHEMBL8848629 0.71 XDH (0.45) GPR35MEN1ALDH1A1MAPTHPGD
SCHEMBL8848633 0.70 TTR (0.44) GPR35MEN1ALDH1A1MAPTHPGD
SCHEMBL30593957 0.70 ALOX15 (0.55) GPR35MEN1ALDH1A1MAPTHPGD
SCHEMBL26110717 0.70 ALOX15 (0.55) GPR35MEN1ALDH1A1MAPTHPGD
SCHEMBL30593958 0.70 ALOX15 (0.55) GPR35MEN1ALDH1A1MAPTHPGD
SCHEMBL27691689 0.70 HPGD (0.51) GPR35MEN1ALDH1A1MAPTHPGD

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
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP claimed