SCHEMBL9812439

SCHEMBL9812439

O=[N+]([O-])c1cc(CO)cc(CO)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
CASP6 P55212 2/20 0.53
GPR35 Q9HC97 7/20 0.46
ALDH1A1 P00352 2/20 0.43
SNCA P37840 1/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9812448 0.88 GPR35 (0.57) KDM4EGPR35ALDH1A1MEN1TTR
SCHEMBL8848416 0.83 TTR (0.58) KDM4EGPR35ALDH1A1MEN1TTR
SCHEMBL8065995 0.80 GPR35 (0.69) KDM4ECASP6GPR35ALDH1A1SNCA
SCHEMBL31296199 0.80 TTR (0.46) KDM4ECASP6GPR35ALDH1A1MEN1
SCHEMBL25962629 0.78 SMN1; SMN2 (0.54) KDM4ECASP6GPR35ALDH1A1SNCA
SCHEMBL14185386 0.77 XDH (0.65) GPR35ALDH1A1MEN1MAPTHPGD
SCHEMBL8214082 0.76 ALDH1A1 (0.44) KDM4EGPR35ALDH1A1SNCATTR
SCHEMBL29061908 0.76 MEN1 (0.53) KDM4EGPR35ALDH1A1MEN1CYP1A2
SCHEMBL4969551 0.76 MAPT (0.45) KDM4EGPR35ALDH1A1MEN1MAPT
SCHEMBL30792060 0.76 GPR35 (0.41) KDM4EGPR35ALDH1A1MEN1TTR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234305-B1 METHOD FOR THE PRESERVATION OF WOOD Cooke, Theodore F. Jr. (US) 1991-07-03 EP claimed
EP-0234305-B1 METHOD FOR THE PRESERVATION OF WOOD Cooke, Theodore F. Jr. (US) 1991-07-03 EP disclosed
EP-0234305-A1 Method for the preservation of wood Cooke, Theodore F. Jr. (US) 1987-09-02 EP disclosed
US-4661382-A TREATMENT WITH ALKYLOL GROUP CONTAINING PHENOL COOKE THEODORE F JR 1987-04-28 US disclosed