SCHEMBL8848629

SCHEMBL8848629

COCCOCc1cc(O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.45
GPR35 Q9HC97 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TTR P02766 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
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
SCHEMBL8848389 0.75 TTR (0.43) XDHGPR35KDM4EMEN1ALDH1A1
SCHEMBL12776819 0.75 GPR35 (0.56) XDHGPR35KDM4EMEN1ALDH1A1
SCHEMBL8848416 0.73 TTR (0.58) XDHGPR35KDM4EMEN1ALDH1A1
SCHEMBL8848394 0.72 TTR (0.43) XDHGPR35KDM4EMEN1ALDH1A1
SCHEMBL24988935 0.72 LMNA (0.35) XDHMEN1ALDH1A1MAPTHPGD
SCHEMBL30848965 0.72 LMNA (0.38) XDHKDM4EMEN1ALDH1A1MAPT
SCHEMBL8848361 0.72 TTR (0.56) XDHGPR35KDM4EMEN1ALDH1A1
SCHEMBL8848721 0.72 TTR (0.56) XDHGPR35KDM4EMEN1ALDH1A1
SCHEMBL15199259 0.72 GPR35 (0.56) XDHGPR35KDM4EMEN1ALDH1A1
SCHEMBL8848845 0.71 GPR35 (0.45) XDHGPR35KDM4EMEN1ALDH1A1

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