SCHEMBL6384593

SCHEMBL6384593

CCCn1c(=O)n(CCCC(=O)OCC)c(=O)c2c1ncn2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 12/20 1.00
▸ PDE4A P27815 5/20 0.69
▸ PDE4B Q07343 5/20 0.69
▸ PDE4C Q08493 5/20 0.69
▸ PDE4D Q08499 5/20 0.69
▸ ADORA2A P29274 4/20 0.69
▸ CYP1A2 P05177 2/20 0.67
▸ ADORA2B P29275 2/20 0.67
▸ PMP22 Q01453 2/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ USP2 O75604 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL5424162 0.89 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6190255 0.86 TNF (0.76) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL17682312 0.86 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL316911 0.82 PDE4A (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL8861573 0.82 TNF (0.82) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21381262 0.81 PDE4A (0.91) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21381251 0.80 PDE4A (0.89) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21381243 0.77 PDE4A (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL8644270 0.76 TNF (0.79) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL17682325 0.75 TNF (0.80) TNFPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1193257-B1 Compounds for ceramide-mediated signal transduction UNIV CALIFORNIA (US) 2005-09-07 — — EP disclosed
EP-0801568-B1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 2002-07-17 — — EP disclosed
EP-1193257-A2 Compounds for ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-04-03 — — EP disclosed
US-5843943-A Compounds for inhibition of ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-01 — — US disclosed
EP-0801568-A4 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 1998-02-25 — — EP disclosed
EP-0801568-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-22 — — EP disclosed
WO-1996020710-A1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-07-11 — — WO disclosed
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