SCHEMBL6137066

SCHEMBL6137066

CN(C)C(=S)Oc1ccc(CC(=O)O)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 1/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NCEH1 Q6PIU2 3/20 0.37
CXCL8 P10145 3/20 0.36
CHRM1 P11229 1/20 0.35
CAMK2A Q9UQM7 3/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
ABCC3 O15438 1/20 0.34
PLIN1 O60240 1/20 0.34
TP53 P04637 1/20 0.34
GSTA1 P08263 1/20 0.34
GSTP1 P09211 1/20 0.34
HSPD1 P10809 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL7039256 0.86 LMNA (0.38) L3MBTL1LMNANPSR1MAPTNPC1
SCHEMBL6137022 0.77 HSD17B10 (0.56) HSD17B10NPSR1CXCL8CHRM1CAMK2A
SCHEMBL10896825 0.76 CA2 (0.49) L3MBTL1HSD17B10LMNANPSR1MAPT
SCHEMBL6136980 0.76 CXCL8 (0.36) MAPTCXCL8CAMK2AALDH1A1CYP2C9
SCHEMBL10894946 0.70 GAA (0.46) L3MBTL1HSD17B10LMNAMAPTNPC1
SCHEMBL6137045 0.70 HSD17B10 (0.39) HSD17B10LMNAMAPTNPC1RAB9A
SCHEMBL4900831 0.69 CXCL8 (0.50) CXCL8CAMK2ACYP2C9CLIC1CLCN2
SCHEMBL10622242 0.68 HSD17B10 (0.53) HSD17B10NPSR1MAPTCXCL8CAMK2A
SCHEMBL6540729 0.68 KDM4E (0.45) HSD17B10LMNARAB9ACAMK2AALDH1A1
SCHEMBL6137059 0.68 CXCL8 (0.35) CXCL8CAMK2AALDH1A1CYP2C9CLIC1

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-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES Merck & Co., Inc. (US) 2000-06-28 EP disclosed
EP-1011651-A4 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