SCHEMBL11560573

SCHEMBL11560573

CCCCCC=CC(C)(C)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.36
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL11560571 1.00 GMNN (0.37) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL11567368 0.83 GMNN (0.39) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL11567365 0.83 GMNN (0.39) GMNNUSP2CYP1A2POLBCYP3A4
SCHEMBL4910886 0.72 CNR1 (0.43) POLBRECQLCNR1CNR2HTT
SCHEMBL11813686 0.72 CNR1 (0.43) POLBRECQLCNR1CNR2HTT
SCHEMBL11565244 0.71 MEN1 (0.34) MEN1KMT2A
SCHEMBL11565246 0.71 MEN1 (0.34) MEN1KMT2A
SCHEMBL9433437 0.70 CNR1 (0.45) CNR1CNR2FAAHTRPV1
SCHEMBL11564614 0.70 CNR1 (0.42) USP2CYP1A2CNR1CNR2FAAH
SCHEMBL4905418 0.70 CNR1 (0.45) CNR1CNR2FAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4175187-A REACTING ETHYLENE, SUBSTITUTED ETHYLENE WITH A SECONDARY AMINE AND A PALLADIUM CATALYST UNIVERSITY OF DELAWARE (US) 1979-11-20 US disclosed