SCHEMBL9812448

SCHEMBL9812448

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.57
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL8848416 0.90 TTR (0.58) GPR35CA12CA1CA2CA9
SCHEMBL9812439 0.88 KDM4E (0.53) GPR35CRHBPCRHR2ALDH1A1MAPT
SCHEMBL31296199 0.87 TTR (0.46) GPR35CA12CA1CA2CA9
SCHEMBL10881818 0.84 GPR35 (0.59) GPR35CRHBPCRHR2CA12CA1
SCHEMBL17867141 0.83 GPR35 (0.53) GPR35CRHBPCRHR2CA12CA1
SCHEMBL8214082 0.83 ALDH1A1 (0.44) GPR35ALDH1A1MAPTKDM4ETTR
SCHEMBL30792060 0.82 GPR35 (0.41) GPR35CRHBPCRHR2CA12CA1
SCHEMBL29061908 0.82 MEN1 (0.53) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL6810751 0.81 ALDH1A1 (0.43) GPR35ALDH1A1MAPTKDM4ETTR
SCHEMBL5083291 0.81 GPR35 (0.61) GPR35CRHBPCRHR2CA12CA1

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-0234305-B1 METHOD FOR THE PRESERVATION OF WOOD Cooke, Theodore F. Jr. (US) 1991-07-03 EP claimed
CN-87100524-A Method for preserving wood 1987-09-02 CN disclosed