SCHEMBL7423652

SCHEMBL7423652

COc1ccc(CCCn2c(=O)[nH]c(=S)c3[nH]c(C(C)C)nc32)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.52
PDE4A P27815 11/20 0.52
PDE4C Q08493 9/20 0.52
PDE4D Q08499 9/20 0.52
PDE3A Q14432 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7416418 0.92 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL7089270 0.90 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL1388196 0.83 PDE4A (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7092998 0.81 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL6154427 0.80 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7090584 0.79 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL7683789 0.77 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL7090590 0.76 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7020690 0.76 PDE4A (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7738936 0.74 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799040-A4 TRISUBSTITUTED THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP claimed
EP-0799040-A1 TRISUBSTITUTED THIOXANTHINES Euroceltique S.A. (LU) 1997-10-08 EP claimed
WO-1996018400-A1 TRISUBSTITUTED THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO claimed
EP-0799040-A4 TRISUBSTITUTED THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0799040-A1 TRISUBSTITUTED THIOXANTHINES Euroceltique S.A. (LU) 1997-10-08 EP disclosed
WO-1996018400-A1 TRISUBSTITUTED THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed