SCHEMBL11345267

SCHEMBL11345267

CCCCCCCCCCCCCCCCNc1ccc(C(=O)C(O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.49
HCAR3 P49019 1/20 0.45
LMNA P02545 2/20 0.44
SCN5A Q14524 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 1/20 0.44
DRD4 P21917 1/20 0.44
ACHE P22303 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
SCN7A Q01118 1/20 0.44
SLC6A3 Q01959 1/20 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
SCHEMBL11564115 0.87 PLK1 (0.50) PLK1HCAR3LMNASCN5ACYP1A2
SCHEMBL11565019 0.87 PLK1 (0.50) PLK1HCAR3LMNASCN5ACYP1A2
SCHEMBL11558109 0.87 PLK1 (0.50) PLK1HCAR3LMNASCN5ACYP1A2
SCHEMBL11563861 0.87 PLK1 (0.50) PLK1HCAR3LMNASCN5ACYP1A2
SCHEMBL11557527 0.87 PLK1 (0.50) PLK1HCAR3LMNASCN5ACYP1A2
SCHEMBL19149750 0.84 PLK1 (0.49) PLK1HCAR3LMNASCN5ACYP1A2
Cetaben SCHEMBL2112078 0.82 HCAR3 (0.59) PLK1HCAR3PRSS1F2PRSS2
SCHEMBL10534588 0.82 HCAR3 (0.59) PLK1HCAR3PRSS1F2PRSS2
SCHEMBL2309354 0.82 HCAR3 (0.59) PLK1HCAR3PRSS1F2PRSS2
SCHEMBL22398313 0.82 HCAR3 (0.59) PLK1HCAR3PRSS1F2PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4272546-A ANTILIPEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1981-06-09 US disclosed
US-4254138-A ANTILIPEMIC AGENTS AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4196208-A ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed