SCHEMBL3467775

SCHEMBL3467775

C=C(C)C(=O)NCCCCCCCCCCCCCC.C=C(C)C(=O)NCCCCCCCCCCCCCCCC.C=C(CCCCCCCCCCCCCC)C(N)=O.C=CC(=O)NCCCCCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.60
ZDHHC2 Q9UIJ5 1/20 0.60
PLA2G2A P14555 2/20 0.42
EPHX2 P34913 6/20 0.39
PLA2G4A P47712 1/20 0.39
CASP2 P42575 1/20 0.38
SLC6A5 Q9Y345 2/20 0.38
FAAH O00519 1/20 0.38
EPHX1 P07099 5/20 0.37
NAAA Q02083 1/20 0.36

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
SCHEMBL3467554 0.88 ZDHHC20 (0.77) ZDHHC20ZDHHC2PLA2G2AEPHX2PLA2G4A
SCHEMBL3467185 0.88 ZDHHC20 (0.77) ZDHHC20ZDHHC2PLA2G2AEPHX2PLA2G4A
SCHEMBL28083469 0.85 ZDHHC20 (0.58) ZDHHC20ZDHHC2PLA2G2AEPHX2EPHX1
SCHEMBL28204287 0.84 ZDHHC20 (0.58) ZDHHC20ZDHHC2FAAHNAAA
SCHEMBL8403690 0.84 ZDHHC20 (0.60) ZDHHC20ZDHHC2EPHX2CASP2FAAH
Acrylamide SCHEMBL4253416 0.82 ZDHHC20 (0.57) ZDHHC20ZDHHC2PLA2G2AEPHX2PLA2G4A
Acrylamide SCHEMBL28150479 0.82 ZDHHC20 (0.57) ZDHHC20ZDHHC2PLA2G2AEPHX2PLA2G4A
SCHEMBL11172218 0.79 ZDHHC20 (0.65) ZDHHC20ZDHHC2EPHX1
SCHEMBL10735088 0.79 ZDHHC20 (0.65) ZDHHC20ZDHHC2EPHX1
SCHEMBL30819481 0.79 ZDHHC20 (0.50) ZDHHC20ZDHHC2

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-2010069514-A1 RELATIVE PERMEABILITY MODIFIERS BASED ON HYDROPHOBICALLY MODIFIED CATIONIC COPOLYMERS ENI S.P.A. (IT) 2010-06-24 WO disclosed