SCHEMBL8848633

SCHEMBL8848633

COC(CO)Cc1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.44
GPR35 Q9HC97 4/20 0.44
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
XDH P47989 1/20 0.41
ABCC3 O15438 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
SCHEMBL8848394 0.88 TTR (0.43) TTRGPR35ALOX15ALOX12KDM4E
SCHEMBL8848389 0.85 TTR (0.43) TTRGPR35ALOX15ALOX12KDM4E
SCHEMBL8848287 0.75 GPR35 (0.48) TTRGPR35ALOX15ALOX12KDM4E
SCHEMBL8848416 0.75 TTR (0.58) TTRGPR35ALOX15ALOX12KDM4E
SCHEMBL8848403 0.75 MEN1 (0.45) TTRGPR35ALOX15ALOX12KDM4E
SCHEMBL12776819 0.74 GPR35 (0.56) TTRGPR35ALOX15ALOX12KDM4E
SCHEMBL8848371 0.73 TTR (0.45) TTRGPR35ALOX15ALOX12KDM4E
SCHEMBL8848361 0.71 TTR (0.56) TTRGPR35ALOX15ALOX12KDM4E
SCHEMBL8848721 0.71 TTR (0.56) TTRGPR35ALOX15ALOX12KDM4E
SCHEMBL3681751 0.71 GPR35 (0.55) TTRGPR35ALOX15ALOX12KDM4E

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-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
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 US disclosed