SCHEMBL12438900

SCHEMBL12438900

N=C(N)NCC(=O)NCCO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
CNR1 P21554 4/20 0.34
BLM P54132 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
FAAH O00519 1/20 0.34
KCNK3 O14649 1/20 0.34
CNR2 P34972 1/20 0.34
HPGD P15428 2/20 0.33
ST14 Q9Y5Y6 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL23028669 0.86 ALOX15 (0.37) ALDH1A1MEN1KMT2AST14
SCHEMBL12438902 0.81 CNR1 (0.40) ALDH1A1MEN1KMT2AMAPTCNR1
SCHEMBL2241290 0.78
SCHEMBL12438895 0.78 NAAA (0.43) ALDH1A1MEN1KMT2AMAPTCNR1
SCHEMBL12438897 0.76 NAAA (0.46) ALDH1A1MEN1KMT2AMAPTCNR1
SCHEMBL5453390 0.76 ITGB3 (0.50) MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL17022785 0.76
SCHEMBL10430830 0.76 MCL1 (0.40) MEN1KMT2AFAAH
SCHEMBL18871728 0.75 CASP2 (0.56) FAAH
SCHEMBL18402641 0.75 CASP2 (0.56) FAAH

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