SCHEMBL4703141

SCHEMBL4703141

CCOC(=O)c1c(O)c2cc(F)cc(Cc3ccccc3)c2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGES O14684 1/20 0.48
KDM5A P29375 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRB2 P47870 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL4700777 0.90 PDE3B (0.47) ALOX5PDE3BPDE3ASMN1; SMN2PTGES
SCHEMBL4697265 0.89 PDE3B (0.51) ALOX5PDE3BPDE3ASMN1; SMN2PTGES
SCHEMBL5500146 0.85 KDM5A (0.44) ALOX5PTGESKDM5AKDM5BALDH1A1
SCHEMBL5309383 0.84 PDE3B (0.46) ALOX5PDE3BPDE3ASMN1; SMN2KDM5A
SCHEMBL5312523 0.79 KDM5A (0.42) ALOX5KDM5AKDM5BALDH1A1GAA
SCHEMBL4700724 0.79 PDE3B (0.49) ALOX5PDE3BPDE3ASMN1; SMN2PTGES
SCHEMBL5312400 0.79 MEN1 (0.48) KDM4E
SCHEMBL5309082 0.78 KDM5A (0.58) KDM5AKDM5BGABRA1GABRB1GABRA3
SCHEMBL4789580 0.77 PDE3B (0.47) ALOX5PDE3BPDE3ASMN1; SMN2PTGES
SCHEMBL4698391 0.75 CSF1R (0.42) ALOX5SMN1; SMN2PTGESKDM5AKDM5B

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-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 WO disclosed