SCHEMBL4637327

SCHEMBL4637327

CCC(N)c1ccc(OC)c(OC2CCc3ccccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
IDO1 P14902 2/20 0.43
PDE4A P27815 6/20 0.41
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
NOX1 Q9Y5S8 1/20 0.39
SLC6A4 P31645 1/20 0.39
KMT2A Q03164 1/20 0.38
SLC5A7 Q9GZV3 1/20 0.38
PIN1 Q13526 1/20 0.38
CETP P11597 1/20 0.38

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
SCHEMBL4637330 0.81 FFAR1 (0.43) FFAR1IDO1KMT2A
SCHEMBL4637258 0.79 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL7425987 0.77 SMPD1 (0.47) IDO1
SCHEMBL7425979 0.76 NPC1 (0.43) IDO1PDE4APDE4BPDE4CPDE4D
SCHEMBL4637252 0.75 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL4637286 0.75 ALDH1A1 (0.51) IDO1PDE4APDE4BPDE4CPDE4D
SCHEMBL14032377 0.73 ACHE (0.51) SLC6A4KMT2A
Hydrochloric Acid SCHEMBL5117534 0.72 ACHE (0.50) SLC6A4KMT2A
SCHEMBL8707317 0.71 NR1H3 (0.51) PDE4APDE4BPDE4CPDE4DNOX1
SCHEMBL11998990 0.70 FFAR1 (0.60) FFAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468991-B1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORP (US) 2008-02-20 EP disclosed
EP-1468991-A1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORPORATION (US) 2004-10-20 EP disclosed
EP-0874819-B1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORP (US) 2004-05-26 EP disclosed
US-5728844-A INHIBITORS OF TUMOR NECROSIS AND PHOSPHODIESTERASE CELGENE CORPORATION (US) 1998-03-17 US disclosed