SCHEMBL19171663

SCHEMBL19171663

CCN(CCO)C(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ALDH2 P05091 2/20 0.45
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.32
MLYCD O95822 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9683654 0.87 ALDH1A1 (0.50) ALDH1A1ALDH2MAPTLMNAMMP1
SCHEMBL1526065 0.87 MAPT (0.43) ALDH1A1ALDH2MAPTCA12CA9
SCHEMBL16090076 0.83 CA12 (0.46) ALDH1A1ALDH2LMNAMMP1MMP2
SCHEMBL8308117 0.82 LMNA (0.43) ALDH1A1ALDH2MAPTLMNAMMP1
SCHEMBL871699 0.75
SCHEMBL8637059 0.75
SCHEMBL6294067 0.74 LMNA (0.45) ALDH1A1ALDH2MAPTLMNAMMP1
SCHEMBL741280 0.73
SCHEMBL134968 0.73 ALDH1A1 (0.46) ALDH1A1ALDH2MAPTLMNAMMP1
SCHEMBL2830770 0.73

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-1975707-B1 Curable composition and planographic printing plate precursor FUJIFILM CORP (JP) 2017-07-19 EP disclosed