SCHEMBL11186705

SCHEMBL11186705

CCOC(=O)/C=C/OC(=O)c1ccc(NCCCCCCCCC2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 4/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
BMP1 P13497 1/20 0.38
LMNA P02545 3/20 0.38
SCN5A Q14524 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38
DRD4 P21917 1/20 0.38
ACHE P22303 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
NTSR1 P30989 1/20 0.38
HRH1 P35367 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
SCHEMBL11186707 1.00 RAB9A (0.40) RAB9ANPC1POLBALDH1A1HTT
SCHEMBL11340248 0.84 LMNA (0.49) RAB9ANPC1POLBMAPTLMNA
SCHEMBL11340240 0.84 LMNA (0.49) RAB9ANPC1POLBMAPTLMNA
SCHEMBL11186402 0.83 MAPK1 (0.43) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL11186406 0.83 MAPK1 (0.43) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL11256810 0.83 LMNA (0.41) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL11152011 0.83 CA12 (0.48) RAB9ALMNACNR1ACHEKCNH2
SCHEMBL11256806 0.83 LMNA (0.41) RAB9ANPC1POLBALDH1A1MAPT
SCHEMBL11152007 0.83 CA12 (0.48) RAB9ALMNACNR1ACHEKCNH2
SCHEMBL10787431 0.81 MAPK1 (0.41) RAB9ANPC1POLBALDH1A1MAPT

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-4423051-A ANTIATHEROSCLEROTIC AGENTS AND HYPOLIPIDEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-27 US disclosed
US-4227014-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US disclosed