SCHEMBL8840901

SCHEMBL8840901

O=C1NC(=O)C(CCC2SC(=O)NC2=O)S1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
KDM4E B2RXH2 1/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 4/20 0.50
MAOA P21397 2/20 0.50
CISD1 Q9NZ45 2/20 0.50
MAOB P27338 1/20 0.47
PPARG P37231 4/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX2 P34913 1/20 0.42
CA2 P00918 2/20 0.40
FFAR1 O14842 1/20 0.39
PPARA Q07869 1/20 0.39
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 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
SCHEMBL11169825 0.86 TSHR (0.53) TSHRKDM4EHTTMAPTMAOA
SCHEMBL22623764 0.86 TSHR (0.53) TSHRKDM4EHTTMAPTMAOA
SCHEMBL11172424 0.84 TSHR (0.52) TSHRKDM4EHTTMAPTMAOA
SCHEMBL645409 0.81 EPHX2 (0.62) TSHRKDM4EHTTMAPTMAOA
SCHEMBL19626638 0.81 MAPT (0.49) TSHRKDM4EHTTMAPTMAOA
SCHEMBL15427287 0.80
SCHEMBL16924077 0.80
SCHEMBL4859372 0.80
SCHEMBL4859366 0.80
SCHEMBL264929 0.80

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
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US claimed