SCHEMBL7464005

SCHEMBL7464005

COc1cccc(OC(CC(C)=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MTNR1A P48039 8/20 0.52
MTNR1B P49286 8/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
FFAR1 O14842 1/20 0.47
TACR1 P25103 2/20 0.47
CASR P41180 1/20 0.46

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
SCHEMBL10603027 0.89 SLC6A4 (0.51) MTNR1AMTNR1BFFAR1
Oxalic Acid SCHEMBL7310180 0.80 FFAR1 (0.52) LMNAMTNR1AMTNR1BL3MBTL1FFAR1
SCHEMBL14063965 0.80 SLC6A9 (0.54) LMNAFFAR1
SCHEMBL7051306 0.79 SLC6A4 (0.54) LMNAMTNR1AMTNR1BL3MBTL1FFAR1
SCHEMBL1775169 0.79 KMT2A (0.46) MTNR1AMTNR1BL3MBTL1TACR1
SCHEMBL7310188 0.78 LMNA (0.47) LMNAMTNR1AMTNR1BL3MBTL1FFAR1
Oxalic Acid SCHEMBL7309554 0.78 SLC6A9 (0.56)
SCHEMBL4734665 0.77 SLC6A4 (0.60)
Butanone SCHEMBL4457167 0.77 SLC6A4 (0.40) LMNAMTNR1AMTNR1BL3MBTL1FFAR1
SCHEMBL7053900 0.77 SLC6A4 (0.75) LMNA

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-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed