SCHEMBL3467185

SCHEMBL3467185

C=C(C)C(=O)NCCCCCCCCCC.C=C(C)C(=O)NCCCCCCCCCCCC.C=CC(=O)NCCCCCCCCCCCC

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.77
ZDHHC2 Q9UIJ5 2/20 0.77
EPHX1 P07099 8/20 0.47
PLA2G2A P14555 1/20 0.44
CASP2 P42575 1/20 0.43
EGFR P00533 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
FAAH O00519 1/20 0.41
NAAA Q02083 1/20 0.41
EPHX2 P34913 1/20 0.41
PLA2G4A P47712 1/20 0.41
TGM2 P21980 1/20 0.40

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 1.00 ZDHHC20 (0.77) ZDHHC20ZDHHC2EPHX1PLA2G2ACASP2
Methacrylic Acid SCHEMBL1813078 0.89 ZDHHC2 (0.80) ZDHHC20ZDHHC2EPHX1PLA2G2ACASP2
Methacrylic Acid SCHEMBL19461112 0.89 ZDHHC2 (0.80) ZDHHC20ZDHHC2EPHX1PLA2G2ACASP2
SCHEMBL10386869 0.88 ZDHHC20 (0.56) ZDHHC20ZDHHC2TGM2
SCHEMBL3467775 0.88 ZDHHC20 (0.60) ZDHHC20ZDHHC2EPHX1PLA2G2ACASP2
SCHEMBL144546 0.88 EPHX1 (0.59) ZDHHC20ZDHHC2EPHX1PLA2G2ACASP2
SCHEMBL146327 0.88 EPHX1 (0.59) ZDHHC20ZDHHC2EPHX1PLA2G2ACASP2
SCHEMBL149423 0.88 EPHX1 (0.59) ZDHHC20ZDHHC2EPHX1PLA2G2ACASP2
SCHEMBL220516 0.88 ZDHHC20 (1.00) ZDHHC20ZDHHC2EPHX1CASP2EGFR
SCHEMBL346798 0.88 ZDHHC20 (1.00) ZDHHC20ZDHHC2EPHX1CASP2EGFR

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