SCHEMBL14596348

SCHEMBL14596348

C=CC(=O)Oc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.53
TGM2 P21980 1/20 0.53
PTGS2 P35354 3/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
ENPP2 Q13822 2/20 0.45
ELANE P08246 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL268416 0.85 PKM (0.60) THRBPOLBMAPTPKMELANE
SCHEMBL689560 0.83 TDP1 (0.52) THRBTGM2POLBMAPTPKM
SCHEMBL27403594 0.82 THRB (0.46) THRBTGM2POLBMAPTPKM
SCHEMBL2587522 0.82 THRB (0.64) THRBTGM2MAPTPKMELANE
SCHEMBL964748 0.81 CA2 (0.54) THRB
SCHEMBL11346616 0.81 TDP1 (0.50) THRBTGM2POLBMAPTPKM
SCHEMBL11205293 0.81 THRB (0.49) THRBTGM2POLBMAPTPKM
SCHEMBL1373940 0.81 THRB (0.49) THRBTGM2POLBMAPTPKM
SCHEMBL9568741 0.81 SMN1; SMN2 (0.58) THRBPOLBMAPTPKMELANE
SCHEMBL8784007 0.80 THRB (0.41) THRBTGM2PTGS2AKR1C3

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-101124203-A Chemical compounds ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
US-7186489-B2 Electrophotographic photosensitive member, electrophotographic photosensitive member manufacturing process, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2007-03-06 US disclosed