SCHEMBL9501376

SCHEMBL9501376

CCc1cc(Cl)cc2[nH]c(OC(=O)O)cc(=O)c12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
MEN1 O00255 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9500993 0.85 KDM4E (0.37) HPGD
SCHEMBL9499194 0.84 GPR17 (0.33) GRIN1GRIN2AGRIN2DGRIN3BCYP1A2
SCHEMBL9499254 0.83 MEN1 (0.44) GRIN1GRIN2AMEN1GRIN2DGRIN3B
SCHEMBL9500270 0.83 MEN1 (0.42) GRIN1GRIN2AMEN1GRIN2DGRIN3B
SCHEMBL9500217 0.81 MEN1 (0.44) GRIN1GRIN2AMEN1GRIN2DGRIN3B
SCHEMBL9501069 0.80 DAO (0.40) GRIN1GRIN2AMEN1GRIN2DGRIN3B
SCHEMBL9452200 0.79 MEN1 (0.68) GRIN1GRIN2AMEN1GRIN2DGRIN3B
SCHEMBL9502839 0.77 THRB (0.33)
SCHEMBL9502875 0.76 GRIN2D (0.41) GRIN1GRIN2AMEN1GRIN2DGRIN3B
SCHEMBL9499688 0.75 MEN1 (0.44) GRIN1GRIN2AMEN1GRIN2DGRIN3B

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
EP-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP claimed