SCHEMBL9863064

SCHEMBL9863064

CCOC(=O)CC(=O)Nc1ccc(S)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
GAA P10253 3/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 2/20 0.51
PKM P14618 2/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45

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
SCHEMBL8142603 0.86 TSHR (0.73) TSHRGAAHSD17B10POLBPKM
SCHEMBL16477197 0.83 TSHR (0.69) TSHRGAAHSD17B10POLBPKM
SCHEMBL2105705 0.83 TSHR (0.69) TSHRGAAHSD17B10POLBPKM
SCHEMBL1503956 0.83 TSHR (0.69) TSHRGAAHSD17B10POLBPKM
SCHEMBL11429211 0.83 TSHR (0.69) TSHRGAAHSD17B10POLBPKM
SCHEMBL680836 0.83 TSHR (0.69) TSHRGAAHSD17B10POLBMAPT
SCHEMBL679125 0.83 TSHR (0.69) TSHRGAAHSD17B10PKMMAPT
SCHEMBL10631419 0.82 TSHR (0.68) TSHRPOLBMAPTLMNAMEN1
SCHEMBL7821728 0.82 TSHR (0.77) TSHRGAAHSD17B10POLBMAPT
SCHEMBL5550015 0.81 TSHR (0.55) TSHRHSD17B10POLBPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206741-B1 LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1991-04-10 EP disclosed
EP-0123543-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1988-02-03 EP disclosed
US-4609744-A 4-oxo-benzopyran carboxylic acids MERCK FROSST CANADA INC. (CA) 1986-09-02 US disclosed
EP-0123543-A1 Leukotriene antagonists, their production and use and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-10-31 EP disclosed