SCHEMBL6136980

SCHEMBL6136980

CN(C)C(=S)c1ccc(CC(=O)O)c(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 5/20 0.36
CLIC1 O00299 1/20 0.36
CLCN2 P51788 1/20 0.36
CAMK2A Q9UQM7 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 4/20 0.35
AKR1B10 O60218 1/20 0.35
UGT1A9 O60656 1/20 0.35
TRPA1 O75762 1/20 0.35
ABCB11 O95342 1/20 0.35
MT-CO2 P00403 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
UGT1A6 P19224 1/20 0.35
UGT1A1 P22309 1/20 0.35
PTGS1 P23219 1/20 0.35
CXCR1 P25024 1/20 0.35
ADRA1A P35348 1/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL6137066 0.76 L3MBTL1 (0.39) CXCL8CLIC1CLCN2CAMK2AALDH1A1
SCHEMBL4900831 0.73 CXCL8 (0.50) CXCL8CLIC1CLCN2CAMK2APTGS2
SCHEMBL6137059 0.72 CXCL8 (0.35) CXCL8CLIC1CLCN2CAMK2AALDH1A1
Hydrochloric Acid SCHEMBL11408340 0.71 CXCL8 (0.49) CXCL8CLIC1CLCN2CAMK2APTGS2
SCHEMBL6136983 0.70 AKR1B1 (0.52) CXCL8CLIC1CLCN2CAMK2AMAPT
SCHEMBL21617921 0.69 AKR1B1 (0.45) CXCL8CAMK2AMAPTPTGS2AKR1B10
SCHEMBL7042941 0.69 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL6137046 0.68 CXCL8 (0.42) CXCL8CLIC1CLCN2CAMK2APTGS2
SCHEMBL6137022 0.68 HSD17B10 (0.56) CXCL8CLCN2CAMK2AALDH1A1NR1H4
SCHEMBL4439411 0.68 PTGS2 (0.49) CXCL8CLCN2CAMK2APTGS2AKR1B10

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 4 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
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
EP-0106565-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-25 EP disclosed