SCHEMBL9735344

SCHEMBL9735344

COC(=O)CC(C)C(=O)c1ccc(SC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HAO1 Q9UJM8 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 3/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
SLC6A4 P31645 2/20 0.40
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
LMNA P02545 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
FPR2 P25090 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL9733266 0.82 MMP12 (0.47) PLK1TAS1R3TAS1R1HAO1SLC6A4
SCHEMBL9734549 0.82 CA1 (0.48) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL9733852 0.81 ALDH1A1 (0.37) TAS1R3TAS1R1ALDH1A1MAPTGAA
SCHEMBL3946297 0.81 LMNA (0.47) PLK1TAS1R3TAS1R1HAO1ALDH1A1
SCHEMBL9733728 0.81 ALDH1A1 (0.51) PLK1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL9780181 0.81 KCNA5 (0.38) HAO1ALDH1A1MAPTGAAHTT
SCHEMBL8535929 0.80 KCNA5 (0.49) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL3943449 0.79 ALDH1A1 (0.46) PLK1TAS1R3TAS1R1HAO1ALDH1A1
SCHEMBL3941374 0.79 L3MBTL1 (0.48) PLK1TAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL7884174 0.78 TAS1R3 (0.49) PLK1TAS1R3TAS1R1HAO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135940-A Antiallegens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1992-08-04 US disclosed
US-4990526-A Skin disorders, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1991-02-05 US disclosed
EP-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 EP disclosed
EP-0206741-A2 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1986-12-30 EP disclosed
EP-0104885-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-06-04 EP disclosed
EP-0156233-A2 Use of leukotriene antagonists for producing cytoprotective pharmaceutical compositions and process for producing cytoprotective pharmaceutical compositions MERCK & CO. INC. (US) 1985-10-02 EP disclosed
EP-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP disclosed