SCHEMBL13740588

SCHEMBL13740588

CC(CNS(C)(=O)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.40
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
GRIA4 P48058 2/20 0.37
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ENPEP Q07075 2/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.32

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
SCHEMBL5131406 0.77 APAF1 (0.37) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL31688971 0.76 PMP22 (0.48) CYP1A2GRIA4PMP22
SCHEMBL31673880 0.76 MAPT (0.36) FOLH1GRIA4KMT2APER2CRY1
SCHEMBL8441119 0.76 PMP22 (0.48) CYP1A2GRIA4PMP22
SCHEMBL8441116 0.76 PMP22 (0.48) CYP1A2GRIA4PMP22
SCHEMBL3068513 0.74 ALDH1A1 (0.38) GRIA4KMT2ACYP2D6CYP2C19PER2
SCHEMBL2843643 0.73
SCHEMBL91255 0.72
SCHEMBL11316232 0.72 APAF1 (0.47) APAF1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL11505440 0.72 APAF1 (0.47) APAF1GABRR1CYP1A2FOLH1NAALAD2

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-2012153337-A2 ANTI-MICROBIAL PEPTIDES AND USES OF SAME TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2012-11-15 WO disclosed