SCHEMBL14740733

SCHEMBL14740733

NCCOC(=O)OCCN.[NaH].[NaH]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
IDO1 P14902 2/20 0.35
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 1/20 0.32
CTH P32929 1/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.31
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 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
SCHEMBL1449854 0.97 ALDH1A1 (0.40) ALDH1A1IDO1MAPTTHRBCNR1
Ammonia Solution, Strong SCHEMBL27695494 0.94 ALDH1A1 (0.38) ALDH1A1IDO1MAPTTHRBCNR1
Hydrochloric Acid SCHEMBL28664937 0.94 IDO1 (0.39) ALDH1A1IDO1MAPTTHRBCNR1
SCHEMBL20123368 0.86 TSHR (0.41) ALDH1A1IDO1MAPTTHRBCNR1
SCHEMBL11142071 0.84
SCHEMBL27588158 0.81 IDO1 (0.35) ALDH1A1IDO1MAPTTHRBCNR1
SCHEMBL1304240 0.80
Trifluoroacetic Acid SCHEMBL30369171 0.80 CA12 (0.37) IDO1MAPTCTHLMNA
SCHEMBL15574323 0.79 ODC1 (0.43) ALDH1A1THRBCYP1A2LMNA
SCHEMBL17506966 0.78 NPC1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935573-A1 NOVEL MANNANASE, COMPOSITIONS AND METHODS OF USE THEREOF Danisco US Inc. (US) 2015-10-28 EP disclosed
EP-2906691-A1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT Danisco US Inc. (US) 2015-08-19 EP disclosed
EP-2751263-A1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT Danisco US Inc. (US) 2014-07-09 EP disclosed
WO-2014100018-A1 NOVEL MANNANASE, COMPOSITIONS AND METHODS OF USE THEREOF DANISCO US INC. (US) 2014-06-26 WO disclosed
WO-2013033318-A1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT DANISCO US INC. (US) 2013-03-07 WO disclosed