SCHEMBL28313334

SCHEMBL28313334

NC(=O)C(NCC(=O)O)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LDHA P00338 1/20 0.30
SRR Q9GZT4 1/20 0.30
TGFBR1 P36897 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GSR P00390 1/20 0.30
CYP1A2 P05177 1/20 0.30
GRIK1 P39086 1/20 0.30
GRM5 P41594 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
SLC1A3 P43003 1/20 0.30

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
SCHEMBL3179343 0.85 LDHA (0.37) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL7763267 0.76 CTH (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL4787434 0.76 ALDH1A1 (0.31) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL29226126 0.76 ALOX15 (0.33) LMNA
SCHEMBL2560090 0.71 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL9052983 0.71 ALDH1A1 (0.31) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5706554 0.70 GRM8 (0.37) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL29226125 0.70 CTH (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL10341398 0.70 KDM4E (0.39) ALDH1A1LMNAMAPTTDP1CYP1A2
Hydrochloric Acid SCHEMBL7319087 0.70 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1

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
CN-110157242-A Inkjet ink composition group of printing and dyeing and recording method 精工爱普生株式会社 2019-08-23 CN disclosed