SCHEMBL8877246

SCHEMBL8877246

CC(C)(C)[Si](C)(C)Oc1c(CC2SC(=O)NC2=O)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
PPARG P37231 9/20 0.40
KCNH2 Q12809 1/20 0.40
FFAR1 O14842 5/20 0.37
PPARA Q07869 4/20 0.36
MAPT P10636 2/20 0.36
MAOA P21397 2/20 0.36
CISD1 Q9NZ45 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL13846712 0.78 CA2 (0.45) CA2PPARGKCNH2FFAR1PPARA
SCHEMBL4089575 0.74 MAPT (0.50) CA2PPARGKCNH2FFAR1MAPT
SCHEMBL9838039 0.70 SLC2A1 (0.40) MAPTKDM4EHPGDALDH1A1
SCHEMBL8218339 0.70 ALDH1A1 (0.52) CA2PPARGKCNH2FFAR1MAPT
SCHEMBL9839454 0.69 SLC2A1 (0.38) MAPT
SCHEMBL9839418 0.69 HPGD (0.34) KDM4EHPGD
SCHEMBL9570635 0.68 MAPT (0.53) CA2PPARGKCNH2FFAR1PPARA
SCHEMBL9838017 0.68 PTGS1 (0.37)
SCHEMBL30079867 0.67 POLB (0.46) MAPTKDM4EHPGDALDH1A1
SCHEMBL13846717 0.67 CA2 (0.47) CA2PPARGKCNH2FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594016-A ANTIDIABETIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0604983-B1 Naphthalene derivatives MITSUBISHI CHEM CORP (JP) 1996-11-20 EP disclosed
EP-0604983-A1 Naphthalene derivatives Mitsubishi Chemical Corporation (JP) 1994-07-06 EP disclosed