SCHEMBL12438896

SCHEMBL12438896

N=C(N)NCCCCCC(=O)NCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.49
SELP P16109 1/20 0.46
CNR1 P21554 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 1/20 0.44
DNM1 Q05193 1/20 0.44
CASP2 P42575 1/20 0.43
FAAH O00519 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL12438897 0.98 NAAA (0.46) NAAASELPCNR1ALDH1A1HPGD
SCHEMBL12438895 0.93 NAAA (0.43) NAAASELPCNR1ALDH1A1HPGD
SCHEMBL26870168 0.86 PRMT1 (0.55) MEN1KMT2ACYP1A2SMN1; SMN2CASP2
SCHEMBL3986924 0.86 PRMT1 (0.55) MEN1KMT2ACYP1A2SMN1; SMN2CASP2
SCHEMBL8770877 0.86 PRMT1 (0.55) MEN1KMT2ACYP1A2SMN1; SMN2CASP2
SCHEMBL23587956 0.85 NAAA (0.52) NAAASELPCNR1ALDH1A1HPGD
SCHEMBL12438902 0.85 CNR1 (0.40) NAAASELPCNR1ALDH1A1HPGD
SCHEMBL20542925 0.84 CASP2 (0.65) NAAADNM1CASP2FAAHSLC6A5
SCHEMBL20999515 0.84 ITGB3 (0.54) CNR1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL20543068 0.84 CASP2 (0.65) NAAADNM1CASP2FAAHSLC6A5

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

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