SCHEMBL11530685

SCHEMBL11530685

CCCCCCS(=O)(=O)c1nc(C)co1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.38
GSR P00390 1/20 0.38
MCHR1 Q99705 1/20 0.38
THRB P10828 5/20 0.38
FAAH O00519 2/20 0.36
THRA P10827 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 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
SCHEMBL11525636 0.93 KDM4E (0.39) TXNRD1GSRMCHR1THRBTP53
SCHEMBL10637871 0.69 THRB (0.53) MCHR1THRBFAAHTHRA
SCHEMBL10631445 0.69 THRB (0.53) MCHR1THRBFAAHTHRA
SCHEMBL10637936 0.69 THRB (0.53) MCHR1THRBFAAHTHRA
SCHEMBL10631831 0.69 THRB (0.53) MCHR1THRBFAAHTHRA
SCHEMBL10637898 0.69 THRB (0.53) MCHR1THRBFAAHTHRA
SCHEMBL10638065 0.69 THRB (0.53) MCHR1THRBFAAHTHRA
SCHEMBL10631457 0.69 THRB (0.53) MCHR1THRBFAAHTHRA
SCHEMBL10637864 0.69 THRB (0.53) MCHR1THRBFAAHTHRA
SCHEMBL10634198 0.69 THRB (0.53) MCHR1THRBFAAHTHRA

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-4143047-A 2-SULFINYL AND 2-SULFONYL OXAZOLES LILLY INDUSTRIES LIMITED (GB) 1979-03-06 US disclosed