SCHEMBL6137059

SCHEMBL6137059

CN(C)C(=O)Sc1ccc(CC(=O)O)c(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 5/20 0.35
CLIC1 O00299 1/20 0.35
CLCN2 P51788 1/20 0.35
CAMK2A Q9UQM7 3/20 0.34
AGBL2 Q5U5Z8 1/20 0.34
PTGS2 P35354 5/20 0.33
TTR P02766 2/20 0.33
AKR1B10 O60218 1/20 0.33
UGT1A9 O60656 1/20 0.33
TRPA1 O75762 1/20 0.33
ABCB11 O95342 1/20 0.33
MT-CO2 P00403 1/20 0.33
ALB P02768 1/20 0.33
UGT1A6 P19224 1/20 0.33
UGT1A1 P22309 1/20 0.33
PTGS1 P23219 1/20 0.33
CXCR1 P25024 1/20 0.33
ADRA1A P35348 1/20 0.33
AGTR2 P50052 1/20 0.33
NR1I3 Q14994 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
SCHEMBL7042944 0.84 ACLY (0.35) ALDH1A1
SCHEMBL18113144 0.76 CYP2C9 (0.49) CXCL8PTGS2TTRAKR1B10UGT1A9
SCHEMBL4031971 0.75 CA2 (0.51) PTGS1ALDH1A1
SCHEMBL8298121 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6136980 0.72 CXCL8 (0.36) CXCL8CLIC1CLCN2CAMK2APTGS2
SCHEMBL4900831 0.70 CXCL8 (0.50) CXCL8CLIC1CLCN2CAMK2APTGS2
Hydrochloric Acid SCHEMBL11408340 0.69 CXCL8 (0.49) CXCL8CLIC1CLCN2CAMK2APTGS2
SCHEMBL6136924 0.69 ALDH1A1 (0.46) CXCL8AGBL2PTGS2SRCAKR1B1
SCHEMBL10892472 0.69 HPGD (0.40) CAMK2APTGS1ALDH1A1
SCHEMBL11889215 0.68 NCEH1 (0.52) ALDH1A1

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