SCHEMBL9499677

SCHEMBL9499677

CCCc1cccc2[nH]c(OC(=O)O)cc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.38
DAO P14920 2/20 0.36
DDO Q99489 1/20 0.35
GPR35 Q9HC97 2/20 0.35
PDE2A O00408 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
SLC2A1 P11166 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9502885 0.94 PDE2A (0.42) DAODDOGPR35PDE2APDE1A
SCHEMBL9501069 0.91 DAO (0.40) PLA2G2ADAODDOGRIN1GRIN2A
SCHEMBL9452197 0.80 GPR35 (0.50) GPR35PDE2APDE1APDE1BPDE1C
SCHEMBL9499661 0.78 IMPDH2 (0.40) GPR35GRIN1GRIN2AMEN1KMT2A
SCHEMBL9500387 0.77 FEN1 (0.43) DAODDO
SCHEMBL9500319 0.76 CDK1 (0.37) DAOKMT2A
SCHEMBL9452236 0.76 KDM4E (0.49) MEN1KMT2A
SCHEMBL9389414 0.76 DAO (0.58) DAODDOGRIN1GRIN2A
SCHEMBL9452264 0.75 GPR35 (0.58) GPR35PDE2APDE1APDE1BPDE1C
SCHEMBL9500993 0.75 KDM4E (0.37) GPR35PDE2APDE1APDE1BPDE1C

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