SCHEMBL12438902

SCHEMBL12438902

N=C(N)NCCC(=O)NCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
NAAA Q02083 1/20 0.37
MEN1 O00255 2/20 0.37
BLM P54132 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
SELP P16109 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
FAAH O00519 1/20 0.37
KCNK3 O14649 1/20 0.37
CNR2 P34972 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL23028674 0.89 ITGB3 (0.40) ALDH1A1ITGB3ITGA2BNAAAMEN1
SCHEMBL12438895 0.88 NAAA (0.43) CNR1ALDH1A1NAAAMEN1BLM
SCHEMBL12438897 0.86 NAAA (0.46) CNR1ALDH1A1NAAAMEN1BLM
SCHEMBL12438896 0.85 NAAA (0.49) CNR1ALDH1A1NAAAMEN1BLM
SCHEMBL2241290 0.82
SCHEMBL12438900 0.81 ALDH1A1 (0.37) CNR1ALDH1A1GAAMEN1BLM
Hydrochloric Acid SCHEMBL17022785 0.79
SCHEMBL14803488 0.79 GAA (0.46) CNR1ALDH1A1GAANAAAMEN1
SCHEMBL18986179 0.79 ITGB3 (0.35) CNR1ALDH1A1ITGB3ITGA2BMEN1
SCHEMBL18381395 0.79 PRMT1 (0.47) ITGB3ITGA2BMEN1KMT2ALMNA

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-20130078351-A1 COMPOUNDS AND METHODS FOR ENHANCING SALTY TASTE MONELL CHEMICAL SENSES CENTER (US) 2013-03-28 US disclosed
WO-2011097344-A1 COMPOUNDS AND METHODS FOR ENHANCING SALTY TASTE MONELL CHEMICAL SENSES CENTER (US) 2011-08-11 WO disclosed