SCHEMBL4251035

SCHEMBL4251035

C=CC(=O)NCCCN(CCCCCCCCCCCC)CCCNC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.66
ZDHHC2 Q9UIJ5 2/20 0.66
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
DNM1 Q05193 1/20 0.41
PAOX Q6QHF9 3/20 0.40
EPHX1 P07099 5/20 0.40
FAAH O00519 1/20 0.40
KDM5A P29375 2/20 0.38
PHF8 Q9UPP1 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
NAAA Q02083 1/20 0.38
EGFR P00533 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CASP2 P42575 1/20 0.37

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
SCHEMBL2832067 0.94 ZDHHC20 (0.74) ZDHHC20ZDHHC2ALDH1A1MAPK1DNM1
SCHEMBL12756389 0.94 ZDHHC20 (0.74) ZDHHC20ZDHHC2ALDH1A1MAPK1DNM1
SCHEMBL2831579 0.94 ZDHHC20 (0.74) ZDHHC20ZDHHC2ALDH1A1MAPK1DNM1
SCHEMBL3278217 0.92 ZDHHC20 (0.71) ZDHHC20ZDHHC2ALDH1A1MAPK1DNM1
SCHEMBL2836140 0.91 ZDHHC20 (0.70) ZDHHC20ZDHHC2ALDH1A1DNM1EPHX1
SCHEMBL3282432 0.91 ZDHHC20 (0.80) ZDHHC20ZDHHC2ALDH1A1DNM1EPHX1
SCHEMBL1334273 0.91 ZDHHC20 (0.80) ZDHHC20ZDHHC2ALDH1A1DNM1EPHX1
SCHEMBL1336641 0.91 ZDHHC20 (0.80) ZDHHC20ZDHHC2ALDH1A1DNM1EPHX1
SCHEMBL3279611 0.89 ZDHHC20 (0.77) ZDHHC20ZDHHC2ALDH1A1MAPK1EPHX1
SCHEMBL2830818 0.88 ZDHHC20 (0.69) ZDHHC20ZDHHC2ALDH1A1MAPK1DNM1

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
EP-2105450-A1 Antimicrobial polymers Catalyse SARL (FR) 2009-09-30 EP disclosed