SCHEMBL5982259

SCHEMBL5982259

CCOC(=O)C(CS)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.44
CPN1 P15169 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL990377 0.82 CPN1 (0.44) CPB2CPN1TSHRHSD17B10
SCHEMBL32683934 0.82 L3MBTL1 (0.43) L3MBTL1CYP2D6ALDH1A1NPSR1TSHR
SCHEMBL11374774 0.80 L3MBTL1 (0.42) CPB2CPN1L3MBTL1CYP2D6ALDH1A1
SCHEMBL32683476 0.78 L3MBTL1 (0.41) L3MBTL1CYP2D6ALDH1A1NPSR1TSHR
SCHEMBL19926159 0.78 L3MBTL1 (0.41) L3MBTL1CYP2D6ALDH1A1NPSR1TSHR
SCHEMBL1245653 0.78 CYP2D6 (0.56) L3MBTL1CYP2D6ALDH1A1NPSR1TSHR
SCHEMBL772352 0.78 CPB2 (0.41) CPB2L3MBTL1CYP2D6ALDH1A1NPSR1
SCHEMBL1076982 0.77 CPN1 (0.41) CPB2CPN1ALDH1A1NPSR1TSHR
SCHEMBL17730048 0.77 SHBG (0.48) L3MBTL1CYP2D6ALDH1A1NPSR1TSHR
SCHEMBL32683404 0.77 L3MBTL1 (0.40) L3MBTL1CYP2D6ALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646612-A1 PROCESSES FOR PREPARING MONTELUKAST SODIUM Teva Pharmaceutical Industries Ltd (IL) 2006-04-19 EP disclosed
WO-2005105751-A1 PROCESSES FOR PREPARING MONTELUKAST SODIUM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-11-10 WO disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 EP disclosed