SCHEMBL6933053

SCHEMBL6933053

CCCc1cccc(COc2ccc(C(=O)OC)c(O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.54
MAOA P21397 6/20 0.54
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK4 Q16654 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.48

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
SCHEMBL7911046 0.85 MAOB (0.57) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL629952 0.84 MAOB (0.74) MAOBMAOACA12CA1CA2
SCHEMBL13298042 0.84 MAOB (0.77) MAOBMAOAMRGPRX4
SCHEMBL15615390 0.81 MAOB (0.58) MAOBMAOAMAPTCA12CA1
SCHEMBL8303432 0.81 CA12 (0.59) MAPTCA12CA1CA2CA7
Methyl 2,4-Dihydroxybenzoate SCHEMBL5199862 0.81 MAOB (0.68) MAOBMAOACA12CA1CA2
SCHEMBL7908741 0.80 MAOB (0.56) MAOBMAOAMAPTCA12CA1
SCHEMBL15615441 0.79 MAOB (0.62) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL4212043 0.79 MAOB (0.58) MAOBMAOAMAPTHTTCA12
SCHEMBL22438674 0.78 CA12 (0.60) MAOBMAOAMAPTL3MBTL1CA12

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-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed