SCHEMBL27430397

SCHEMBL27430397

C=CC(=O)OCCCNS(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 1/20 0.52
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.37
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL5343728 0.95 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9418374 0.89 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27517006 0.83 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL775539 0.80 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10151013 0.78 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11497594 0.77 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL244114 0.76 TSHR (0.95) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL321925 0.76 TSHR (0.85) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16309324 0.76 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9411319 0.76 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114684-C Foaming-resistant hydrocarbon oil compositions SOLUTIA INC (US) 2003-07-16 CN claimed
CN-1282364-A Foaming-resistant hydrocarbon oil compositions SOLUTIA INC (US) 2001-01-31 CN claimed
CN-1251594-A Method for producing fluoropolymer UNIV NORTH CAROLINA CHAPEL HILL (US) 2000-04-26 CN claimed
CN-1315886-C Method of making fluoropolymers UNIV NORTH CAROLINA CHAPEL HILL (US) 2007-05-16 CN disclosed
CN-1251594-A Method for producing fluoropolymer UNIV NORTH CAROLINA CHAPEL HILL (US) 2000-04-26 CN disclosed