SCHEMBL15440288

SCHEMBL15440288

CCCC(=O)C(C)=NN(Cc1ccccc1)[SiH](C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.39
G6PC1 P35575 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
RIPK1 Q13546 2/20 0.35
TP53 P04637 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL15438741 0.89 LMNA (0.41) CES2CES1NPC1RAB9ALMNA
SCHEMBL15440651 0.84 G6PC1 (0.42) NPC1RAB9ALMNAG6PC1CYP2C19
SCHEMBL15439377 0.83 LMNA (0.39) CES2CES1NPC1RAB9ALMNA
SCHEMBL15439347 0.83 NPC1 (0.40) NPC1RAB9ALMNAG6PC1CYP3A4
SCHEMBL15439262 0.82 G6PC1 (0.53) CES2CES1NPC1RAB9ALMNA
SCHEMBL15439263 0.82 G6PC1 (0.53) CES2CES1NPC1RAB9ALMNA
SCHEMBL15439192 0.82 LMNA (0.38) CES2CES1NPC1RAB9ALMNA
SCHEMBL15439176 0.81 NPC1 (0.46) CES2CES1NPC1RAB9ALMNA
SCHEMBL15439177 0.81 NPC1 (0.46) CES2CES1NPC1RAB9ALMNA
SCHEMBL15440331 0.80 G6PC1 (0.46) CES2CES1NPC1RAB9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115231-B2 Polymers functionalized with protected hydrazone compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2015-08-25 US disclosed
US-20140031488-A1 Polymers Functionalized With Protected Hydrazone Compounds Containing An Acyl Group BRIDGESTONE CORPORATION (JP) 2014-01-30 US disclosed