SCHEMBL9733588

SCHEMBL9733588

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 2/20 0.41
RAB9A P51151 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SLC2A1 P11166 1/20 0.41
MMP1 P03956 1/20 0.40
RARB P10826 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL10548754 0.86 MAPK1 (0.47) MAPTL3MBTL1GAAMAPK1RARB
SCHEMBL9733728 0.81 ALDH1A1 (0.51) L3MBTL1SLC2A1MMP1MEN1LMNA
SCHEMBL8787577 0.79 L3MBTL1 (0.49) MAPTL3MBTL1GAAMAPK1RAB9A
SCHEMBL10423530 0.78 RAB9A (0.54) MAPTL3MBTL1GAARAB9AMEN1
SCHEMBL8594326 0.77 MAOB (0.57) L3MBTL1RAB9ASMN1; SMN2
SCHEMBL9734549 0.76 CA1 (0.48) L3MBTL1MEN1LMNAKMT2A
SCHEMBL1796513 0.76 MAPT (0.77) MAPTL3MBTL1GAARAB9AMEN1
SCHEMBL9780181 0.75 KCNA5 (0.38) MAPTL3MBTL1GAARAB9AHRH3
SCHEMBL1374268 0.75 MEN1 (0.44) MAPTL3MBTL1GAAMAPK1MEN1
SCHEMBL8535929 0.75 KCNA5 (0.49) MAPTL3MBTL1MEN1LMNAKMT2A

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
US-5135940-A Antiallegens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1992-08-04 US disclosed
EP-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 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