SCHEMBL27370565

SCHEMBL27370565

CCCCC(=O)c1c(N)csc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
PLA2G4A P47712 1/20 0.41
PLA2G2A P14555 2/20 0.37
PLA2G5 P39877 2/20 0.37
FFAR1 O14842 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
GPR35 Q9HC97 4/20 0.37
HSD17B3 P37058 1/20 0.37
HTR7 P34969 1/20 0.36

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
SCHEMBL28104238 0.74 GPR35 (0.55) PLA2G4AMEN1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL4105337 0.74 TDP1 (0.39) MEN1ALDH1A1MAPTKMT2AGPR35
SCHEMBL27682582 0.73 ALDH1A1 (0.50) MEN1ALDH1A1MAPTKMT2A
SCHEMBL30950689 0.71 PLA2G2A (0.42) CA2PLA2G2APLA2G5FFAR1MEN1
SCHEMBL29188283 0.71 PLA2G2A (0.42) CA2PLA2G2APLA2G5FFAR1MEN1
SCHEMBL28234678 0.69 PLA2G2A (0.47) CA2PLA2G2APLA2G5FFAR1MEN1
SCHEMBL2470505 0.69 DAO (0.39) ALDH1A1MAPTHTTKMT2AGPR35
SCHEMBL20303097 0.67 ALDH1A1 (0.42) MEN1ALDH1A1MAPTKMT2AATM
SCHEMBL21543944 0.67 GRM6 (0.43) CA2MEN1ALDH1A1MAPTKMT2A
SCHEMBL9430732 0.66 GPR35 (0.44) MEN1ALDH1A1KMT2AGPR35

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066448-C Amide derivatives OTSUKA PHARMA CO LTD (JP) 2001-05-30 CN disclosed
CN-1221419-A Amide derivatives OTSUKA PHARMA CO LTD (JP) 1999-06-30 CN disclosed