SCHEMBL9500993

SCHEMBL9500993

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
GPR17 Q13304 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE2A O00408 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
GPR35 Q9HC97 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32
MAPK10 P53779 1/20 0.32
NCOA2 Q15596 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL9501376 0.85 GRIN1 (0.43) HPGD
SCHEMBL9499194 0.85 GPR17 (0.33) GPR17PPARGRXFP1
SCHEMBL9499247 0.84 KDM4E (0.46) KDM4EPOLBMAPTGPR17RAB9A
SCHEMBL9502853 0.82 GRIN2D (0.35) KDM4EPOLBMAPTGPR17
SCHEMBL9499688 0.82 MEN1 (0.44) KDM4EPOLBMAPTHPGD
SCHEMBL9499303 0.82 KDM4E (0.35) KDM4EPOLBMAPTGPR17ALDH1A1
SCHEMBL9501069 0.81 DAO (0.40) POLBMAPT
SCHEMBL9500270 0.78 MEN1 (0.42) GPR17HPGD
SCHEMBL9502839 0.78 THRB (0.33) GPR17
SCHEMBL9452399 0.78 MEN1 (0.50) HPGDGPR35

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