SCHEMBL6137045

SCHEMBL6137045

CN(C)C(=S)Oc1ccc(CC(=O)O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CXCL8 P10145 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAOB P27338 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTGER4 P35408 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
LCK P06239 1/20 0.33

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
SCHEMBL10896532 0.86 RAB9A (0.51) HSD17B10RAB9AALDH1A1LMNA
SCHEMBL1142783 0.77 HSD17B10 (0.63) HSD17B10POLBMAPTRECQLKDM4E
SCHEMBL6540729 0.76 KDM4E (0.45) HSD17B10RAB9AALDH1A1POLBLMNA
SCHEMBL25379086 0.75 KDM4E (0.53) ALDH1A1POLBSMN1; SMN2LMNAKDM4E
SCHEMBL14223662 0.72 PLA2G4B (0.48) ALDH1A1LMNAFFAR1FFAR4
SCHEMBL10894946 0.72 GAA (0.46) HSD17B10RAB9AALDH1A1POLBNPC1
SCHEMBL30698114 0.72 FFAR4 (0.48) HSD17B10FFAR1FFAR4
SCHEMBL11039596 0.72 ERN1 (0.40) ALDH1A1SMN1; SMN2CYP26A1CYP26B1MAOB
SCHEMBL513139 0.72 FFAR4 (0.48) HSD17B10FFAR1FFAR4
SCHEMBL25378774 0.71 ATM (0.43) ALDH1A1NPC1SMN1; SMN2KDM4EFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011651-B1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2005-04-27 EP disclosed
EP-1011651-A4 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2000-06-28 EP disclosed
EP-1011651-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES Merck & Co., Inc. (US) 2000-06-28 EP disclosed
US-6020382-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 2000-02-01 US disclosed
US-5847008-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 1998-12-08 US disclosed
WO-1997027847-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO., INC. (US) 1997-08-07 WO disclosed
EP-0106565-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-09-10 EP disclosed
EP-0106565-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-25 EP disclosed