SCHEMBL4789580

SCHEMBL4789580

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
CSF1R P07333 1/20 0.41
ALOX5 P09917 5/20 0.40
PTGES O14684 3/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL4697265 0.87 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2GABRA1GABRB1
SCHEMBL4700724 0.85 PDE3B (0.49) PDE3BPDE3ASMN1; SMN2GABRA1GABRB1
SCHEMBL4703141 0.77 ALOX5 (0.49) PDE3BPDE3ASMN1; SMN2GABRA1GABRB1
SCHEMBL4700777 0.76 PDE3B (0.47) PDE3BPDE3ASMN1; SMN2GABRA1GABRB1
SCHEMBL5309383 0.74 PDE3B (0.46) PDE3BPDE3ASMN1; SMN2GABRA1GABRB1
SCHEMBL5309082 0.70 KDM5A (0.58) GABRA1GABRB1GABRA3GABRB2CSF1R
SCHEMBL4699400 0.68 CSF1R (0.53) SMN1; SMN2MEN1KMT2ACSF1RALOX5
SCHEMBL5129415 0.68 KDM4E (0.55) KMT2AALDH1A1
SCHEMBL5859947 0.68 ALDH1A1 (0.57) PDE3BPDE3ASMN1; SMN2MEN1KMT2A
SCHEMBL18584316 0.67 MAP3K5 (0.55) PDE3BPDE3ASMN1; SMN2MEN1KMT2A

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