SCHEMBL10065799

SCHEMBL10065799

C=C(CC(=O)NCCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
ECE1 P42892 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
TET2 Q6N021 3/20 0.31

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
SCHEMBL2605603 0.86 ALOX15 (0.44) ALOX15HSD17B10GRIK1GRIK2GRM1
SCHEMBL18922729 0.81 SMN1; SMN2 (0.38) ALOX15HSD17B10MEN1KMT2A
SCHEMBL5175886 0.80 ALOX15 (0.40) ALOX15HSD17B10ALDH1A1ECE1MEN1
SCHEMBL5282303 0.78 MCL1 (0.45) ALOX15HSD17B10MEN1KMT2A
SCHEMBL12081771 0.78 ALDH1A1 (0.43) ALOX15HSD17B10ALDH1A1CYP2C9HPGD
SCHEMBL2605612 0.77 SMN1; SMN2 (0.43) ALOX15HSD17B10ALDH1A1HPGDECE1
SCHEMBL2554762 0.77 ECE1 (0.43) ALOX15HSD17B10ALDH1A1CYP2C9HPGD
SCHEMBL16802900 0.75 ALOX15 (0.36) ALOX15HSD17B10ALDH1A1HPGDECE1
SCHEMBL5288745 0.75 CASP2 (0.47) ALOX15CYP2C9HPGDMEN1KMT2A
SCHEMBL11345101 0.75 ALOX15 (0.43) ALOX15HSD17B10GRIK1GRIK2GRM1

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-2012052163-A1 DENTAL CEMENT COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-04-26 WO disclosed