SCHEMBL9502885

SCHEMBL9502885

CCCCc1cccc2[nH]c(OC(=O)O)cc(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
GPR35 Q9HC97 1/20 0.42
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
SLC2A1 P11166 1/20 0.36
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35

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
SCHEMBL9499677 0.94 PLA2G2A (0.38) PDE2APDE1APDE1BPDE1CGPR35
SCHEMBL9501069 0.90 DAO (0.40) DAODDO
SCHEMBL9452264 0.82 GPR35 (0.58) PDE2APDE1APDE1BPDE1CGPR35
SCHEMBL9452189 0.78 KDM4E (0.47) PDE2APDE1APDE1BPDE1CGPR35
SCHEMBL9499661 0.77 IMPDH2 (0.40) GPR35MCL1KDM4EALDH1A1HPGD
SCHEMBL9500387 0.76 FEN1 (0.43) DAODDO
SCHEMBL9500319 0.75 CDK1 (0.37) DAO
SCHEMBL9452197 0.74 GPR35 (0.50) PDE2APDE1APDE1BPDE1CGPR35
SCHEMBL9500993 0.74 KDM4E (0.37) PDE2APDE1APDE1BPDE1CGPR35
SCHEMBL9502841 0.73 CTSV (0.46) PPARAPPARGCTSVCTSLALDH1A1

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