SCHEMBL9846889

SCHEMBL9846889

O=Cc1ccc(C(=O)CC2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SIGMAR1 Q99720 3/20 0.44
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44

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
SCHEMBL6691292 0.81 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6692054 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6611458 0.80 DRD2 (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL507518 0.80 NPC1 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2439457 0.79 MAPT (0.56) ALDH1A1
SCHEMBL9846882 0.79 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL14784803 0.79 DRD2 (0.63) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL29171625 0.79 NPC1 (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL2439507 0.79 NPC1 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2437519 0.79 NPC1 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1

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-0417760-A2 Phenylalkanoyl substituted imidazo[4,5-c] pyridines G.D. Searle & Co. (US) 1991-03-20 EP disclosed
US-4988707-A Platelet activating factor, antiinflammatory agents, cardiovascular disorders and treatment of asthma G. D. SEARLE & CO. (US) 1991-01-29 US disclosed