SCHEMBL6137046

SCHEMBL6137046

O=C(O)Cc1ccc(S)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 5/20 0.42
AKR1B1 P15121 2/20 0.41
CAMK2A Q9UQM7 5/20 0.41
PTGS2 P35354 3/20 0.40
TTR P02766 2/20 0.40
AKR1B10 O60218 1/20 0.40
UGT1A9 O60656 1/20 0.40
TRPA1 O75762 1/20 0.40
ABCB11 O95342 1/20 0.40
MT-CO2 P00403 1/20 0.40
ALB P02768 1/20 0.40
UGT1A6 P19224 1/20 0.40
UGT1A1 P22309 1/20 0.40
PTGS1 P23219 1/20 0.40
CXCR1 P25024 1/20 0.40
ADRA1A P35348 1/20 0.40
AGTR2 P50052 1/20 0.40
NR1I3 Q14994 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL4900831 0.81 CXCL8 (0.50) CXCL8AKR1B1CAMK2APTGS2TTR
Hydrochloric Acid SCHEMBL11408340 0.79 CXCL8 (0.49) CXCL8AKR1B1CAMK2APTGS2TTR
SCHEMBL6136983 0.78 AKR1B1 (0.52) CXCL8AKR1B1CAMK2APTGS2TTR
SCHEMBL21617921 0.77 AKR1B1 (0.45) CXCL8AKR1B1CAMK2APTGS2TTR
SCHEMBL4439411 0.76 PTGS2 (0.49) CXCL8AKR1B1CAMK2APTGS2TTR
SCHEMBL22798814 0.74 AKR1B1 (0.58) CXCL8AKR1B1CAMK2APTGS2TTR
Rubidium SCHEMBL38661227 0.73 KEAP1 (0.49) CXCL8AKR1B1CAMK2ACYP2C9KEAP1
SCHEMBL9477716 0.72 AKR1B1 (0.45) CXCL8AKR1B1CAMK2APTGS2TTR
SCHEMBL6137022 0.72 HSD17B10 (0.56) CXCL8CAMK2ANR1H4CLCN2TDP1
SCHEMBL7486019 0.72 PTGS1 (0.49) CXCL8AKR1B1CAMK2APTGS2TTR

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