SCHEMBL15439261

SCHEMBL15439261

CC(=O)CC(Cc1ccccc1)=NN(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.40
CTBP2 P56545 1/20 0.40
EPHX2 P34913 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
SCHEMBL15439258 1.00 CES2 (0.42) CES2CES1AKR1B1NPC1RAB9A
SCHEMBL15438708 0.86 NPC1 (0.46) CES2CES1AKR1B1NPC1RAB9A
SCHEMBL15438710 0.86 NPC1 (0.46) CES2CES1AKR1B1NPC1RAB9A
SCHEMBL14799495 0.85 ALDH1A1 (0.40) CES2CES1AKR1B1NPC1RAB9A
SCHEMBL14799493 0.85 ALDH1A1 (0.40) CES2CES1AKR1B1NPC1RAB9A
SCHEMBL15440177 0.84 GAA (0.40) CES2CES1AKR1B1NPC1RAB9A
SCHEMBL15439815 0.84 ALDH1A1 (0.40) CES2CES1AKR1B1NPC1RAB9A
SCHEMBL15440179 0.84 GAA (0.40) CES2CES1AKR1B1NPC1RAB9A
SCHEMBL15439803 0.84 G6PC1 (0.53) CES2CES1AKR1B1NPC1RAB9A
SCHEMBL15439802 0.84 G6PC1 (0.53) CES2CES1AKR1B1NPC1RAB9A

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