SCHEMBL2721790

SCHEMBL2721790

C=CC(=O)OCCOc1ccc(SC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.65
TSHR P16473 5/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14173241 0.89 THRB (0.71) THRBTSHRHPGDALDH1A1TP53
SCHEMBL3102899 0.89 THRB (0.71) THRBTSHRHPGDALDH1A1TP53
SCHEMBL9489063 0.87 THRB (0.83) THRBTSHRHPGDALDH1A1TP53
SCHEMBL17147731 0.86 THRB (0.49) THRBTSHRHPGDALDH1A1MAPT
SCHEMBL15500165 0.85 THRB (0.61) THRBTSHRHPGDALDH1A1TP53
SCHEMBL15500106 0.85 THRB (0.61) THRBTSHRHPGDALDH1A1TP53
SCHEMBL25118381 0.85 THRB (0.65) THRBTSHRHPGDALDH1A1TP53
SCHEMBL25118326 0.85 THRB (0.65) THRBTSHRHPGDALDH1A1TP53
SCHEMBL24565145 0.83 THRB (0.71) THRBTSHRHPGDALDH1A1TP53
SCHEMBL39887 0.83 THRB (0.71) THRBTSHRHPGDALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124194-B2 Ink composition comprising a compound with a sulfide bond and an ink jet recording method FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-8124194-B2 Ink composition comprising a compound with a sulfide bond and an ink jet recording method FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
EP-2065448-B1 Ink composition and ink jet recording method FUJIFILM CORP (JP) 2012-01-04 EP disclosed
EP-2065448-A1 Ink composition and ink jet recording method FUJIFILM Corporation (JP) 2009-06-03 EP disclosed
US-20090136678-A1 Ink composition and ink jet recording method FUJIFILM CORPORATION (JP) 2009-05-28 US disclosed
US-20090136678-A1 Ink composition and ink jet recording method FUJIFILM CORPORATION (JP) 2009-05-28 US disclosed