SCHEMBL8500084

SCHEMBL8500084

COC(=O)CC(C)(C)CSC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.33
TET2 Q6N021 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL667630 0.78 TSHR (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL11026137 0.74 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL14713463 0.72 CYP2C19 (0.34)
SCHEMBL20885267 0.72 CYP2C19 (0.34)
SCHEMBL130707 0.72 TSHR (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL7256439 0.72 TSHR (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL15120370 0.71 DGAT1 (0.35) MGAMGAASIMGAM2
SCHEMBL6826552 0.71
SCHEMBL9226097 0.70 TSHR (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL5691969 0.70 KDM4E (0.54) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 US disclosed
US-5428033-A Useful as anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotecyive agents MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
EP-0480716-A1 Saturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed