SCHEMBL11278232

SCHEMBL11278232

CCCCCCCCCCCCCCCNc1ccc(C(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.52
PRSS1 P07477 6/20 0.50
F2 P00734 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TMPRSS6 Q8IU80 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
LMNA P02545 2/20 0.50
SCN5A Q14524 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAOA P21397 1/20 0.50
CNR1 P21554 1/20 0.50
DRD4 P21917 1/20 0.50
ACHE P22303 1/20 0.50
HRH2 P25021 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
MAPK1 P28482 1/20 0.50
NTSR1 P30989 1/20 0.50
HRH1 P35367 1/20 0.50

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
SCHEMBL11299855 1.00 PLK1 (0.52) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL11281214 1.00 PLK1 (0.52) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL11281162 1.00 PLK1 (0.52) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL11273058 1.00 PLK1 (0.52) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL11278081 1.00 PLK1 (0.52) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL19149288 1.00 PLK1 (0.52) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL4564643 0.98 LMNA (0.51) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL10997394 0.93 LMNA (0.56) PLK1PRSS1LMNASCN5ACYP1A2
Cetaben SCHEMBL2112078 0.86 HCAR3 (0.59) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL11280086 0.86 HCAR3 (0.59) PLK1PRSS1F2PRSS2PRSS3

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
US-4309553-A HYPOLIPIDEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1982-01-05 US disclosed
US-4273785-A ANTILIPEMIC AGENTS, ANTIATHEROSCEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-06-16 US disclosed