SCHEMBL20883264

SCHEMBL20883264

C=C(NCC(C)C)C(F)(F)CCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
CES2 O00748 2/20 0.43
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
FAAH O00519 3/20 0.31
CES1 P23141 2/20 0.31

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
SCHEMBL20883279 0.80 EPHX1 (0.51) EPHX1CES2CNR1CNR2LPAR1
SCHEMBL20883265 0.80 EPHX1 (0.51) EPHX1CES2CNR1CNR2LPAR1
SCHEMBL24383368 0.72 MLYCD (0.42) EPHX1
SCHEMBL9498122 0.70 CES2 (0.55) CES2LPAR1LPAR3FAAHCES1
SCHEMBL25110744 0.69 EPHX1 (0.50) EPHX1CES2CNR1CNR2FAAH
SCHEMBL25973013 0.69 EPHX1 (0.50) EPHX1CES2CNR1CNR2FAAH
SCHEMBL20654843 0.69 CES2 (0.59) EPHX1CES2LPAR1LPAR3FAAH
SCHEMBL20070641 0.68 CYP2D6 (0.34) EPHX1CNR1CNR2
SCHEMBL23696755 0.67 EPHX1 (0.47) EPHX1CES2CNR1CNR2FAAH
SCHEMBL9497133 0.66 CES2 (0.50) CES2LPAR1LPAR3FAAHCES1

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
WO-2019071093-A1 ALKAMIDE COMPOUNDS AND USES THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2019-04-11 WO disclosed