SCHEMBL4697265

SCHEMBL4697265

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM5A P29375 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
ALOX5 P09917 4/20 0.45
PTGES O14684 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL4700724 0.89 PDE3B (0.49) PDE3BPDE3ASMN1; SMN2ALOX5PTGES
SCHEMBL4703141 0.89 ALOX5 (0.49) PDE3BPDE3ASMN1; SMN2KDM5AKDM5B
SCHEMBL4789580 0.87 PDE3B (0.47) PDE3BPDE3ASMN1; SMN2ALOX5PTGES
SCHEMBL5309383 0.86 PDE3B (0.46) PDE3BPDE3ASMN1; SMN2KDM5AKDM5B
SCHEMBL5309082 0.80 KDM5A (0.58) KDM5AKDM5BGABRA1GABRB1GABRA3
SCHEMBL4700777 0.79 PDE3B (0.47) PDE3BPDE3ASMN1; SMN2ALOX5PTGES
SCHEMBL6201222 0.79 KDM5A (0.50) KDM5AKDM5BALOX5PTGESALDH1A1
SCHEMBL18584316 0.76 MAP3K5 (0.55) PDE3BPDE3ASMN1; SMN2KDM5AKDM5B
SCHEMBL8895528 0.76 GRIN2D (0.48) ALDH1A1KDM4E
SCHEMBL5500146 0.74 KDM5A (0.44) KDM5AKDM5BALOX5PTGESALDH1A1

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