SCHEMBL6401625

SCHEMBL6401625

C=CC(=O)N(CC)CCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.34
ALDH2 P05091 1/20 0.34
SOAT1 P35610 2/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
PSMB5 P28074 2/20 0.32
FGFR4 P22455 1/20 0.32
CNR1 P21554 1/20 0.31
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL2004205 0.83 ZDHHC20 (0.46) ZDHHC20ZDHHC2LMNAALDH1A1ALDH2
Acrylamide SCHEMBL19858899 0.81 ZDHHC20 (0.46) ZDHHC20ZDHHC2LMNAALDH1A1TSHR
SCHEMBL1880924 0.80 ZDHHC20 (0.41) ZDHHC20ZDHHC2LMNAALDH1A1TSHR
SCHEMBL6406501 0.80 PSMB5 (0.39) ZDHHC20ZDHHC2LMNAALDH1A1TSHR
SCHEMBL16776772 0.79 ZDHHC20 (0.56) ZDHHC20ZDHHC2LMNAALDH1A1TSHR
Acrylamide SCHEMBL11604081 0.79 ALDH1A1 (0.50) ZDHHC20ZDHHC2LMNAALDH1A1TSHR
SCHEMBL633117 0.79 ZDHHC20 (0.51) ZDHHC20ZDHHC2LMNAALDH1A1TSHR
SCHEMBL2560026 0.79 ZDHHC20 (0.47) ZDHHC20ZDHHC2LMNAALDH1A1TP53
SCHEMBL14880 0.79
SCHEMBL20126061 0.78 KMT2A (0.46) ZDHHC20ZDHHC2LMNAALDH1A1ALDH2

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-20050075416-A1 Process for preparing microencapsulated pigment, microencapsulated pigment, aqueous dispersion, and ink for ink jet recording SEIKO EPSON CORPORATION 2005-04-07 US disclosed