SCHEMBL4621246

SCHEMBL4621246

CCCCOC(=O)/C=C/c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
APP P05067 5/20 0.56
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
JUN P05412 1/20 0.55
MAPT P10636 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
CYP1A1 P04798 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP1B1 Q16678 3/20 0.52
LMNA P02545 1/20 0.51
FAAH O00519 2/20 0.50
ATM Q13315 1/20 0.50
PFKFB3 Q16875 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
APAF1 O14727 1/20 0.48

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
SCHEMBL4621254 1.00 L3MBTL1 (0.57) L3MBTL1APPKDM4ENPC1JUN
SCHEMBL27224514 0.95 LMNA (0.59) L3MBTL1APPKDM4ENPC1JUN
SCHEMBL27397301 0.95 LMNA (0.59) L3MBTL1APPKDM4ENPC1JUN
SCHEMBL533791 0.86 RAB9A (0.61) L3MBTL1KDM4ENPC1JUNMAPT
SCHEMBL30012000 0.86 RAB9A (0.61) L3MBTL1KDM4ENPC1JUNMAPT
SCHEMBL13957158 0.86 RAB9A (0.61) L3MBTL1KDM4ENPC1JUNMAPT
SCHEMBL533790 0.86 RAB9A (0.61) L3MBTL1KDM4ENPC1JUNMAPT
SCHEMBL30930826 0.86 RAB9A (0.61) L3MBTL1KDM4ENPC1JUNMAPT
SCHEMBL27866402 0.83 APP (0.58) APPMAPTRAB9ALMNAATM
SCHEMBL10054822 0.83 APP (0.58) APPMAPTRAB9ALMNAATM

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
WO-2014074715-A1 CYCLOPROPYL AMIDE DERIVATIVES GENENTECH, INC. (US) 2014-05-15 WO disclosed
EP-1368287-B1 PROCESS FOR A HOMOGENEOUSLY CATALYZED C-C COUPLING REACTION DSM IP ASSETS BV (NL) 2008-03-26 EP disclosed
US-6784295-B2 CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS SOLVIAS AG (CH) 2004-08-31 US disclosed
EP-1132361-B1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2003-05-14 EP disclosed