SCHEMBL4700724

SCHEMBL4700724

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.49
PDE3A Q14432 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CSF1R P07333 1/20 0.47
ALOX5 P09917 6/20 0.45
PTGES O14684 4/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRB2 P47870 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.41

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) PDE3BPDE3ASMN1; SMN2CSF1RALOX5
SCHEMBL4697265 0.89 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2ALOX5PTGES
SCHEMBL4789580 0.85 PDE3B (0.47) PDE3BPDE3ASMN1; SMN2CSF1RALOX5
SCHEMBL4699400 0.83 CSF1R (0.53) SMN1; SMN2CSF1RALOX5PTGESMAPT
SCHEMBL4703141 0.79 ALOX5 (0.49) PDE3BPDE3ASMN1; SMN2ALOX5PTGES
SCHEMBL4698391 0.77 CSF1R (0.42) SMN1; SMN2CSF1RALOX5PTGESMAPT
SCHEMBL18584340 0.76 MAP3K5 (0.56) PDE3BPDE3ASMN1; SMN2CSF1RALOX5
SCHEMBL5309383 0.76 PDE3B (0.46) PDE3BPDE3ASMN1; SMN2ALOX5GABRA1
SCHEMBL13295306 0.73 CSF1R (0.58) SMN1; SMN2CSF1RALOX5MAPTNPC1
SCHEMBL1061379 0.73 KDM4E (0.64) SMN1; SMN2CSF1RALOX5MAPTLMNA

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