SCHEMBL8733146

SCHEMBL8733146

COc1cccc(C(O)c2ccc(OCc3ccccc3)cc2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.48
MAOB P27338 2/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
HTT P42858 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2516365 0.80 MAPT (0.52) L3MBTL1MAPTMAOBFFAR1LMNA
SCHEMBL4001638 0.80 MAPT (0.50) L3MBTL1MAPTMAOBFFAR1LMNA
SCHEMBL11078857 0.78 MEN1 (0.50) L3MBTL1MAPTMAOBFFAR1LMNA
SCHEMBL7744533 0.78 MAOB (0.51) L3MBTL1MAPTMAOBFFAR1LMNA
SCHEMBL2572231 0.77 FFAR1 (0.48) MAPTMAOBFFAR1LMNAGAA
SCHEMBL2580792 0.77 FFAR1 (0.48) MAPTMAOBFFAR1LMNAGAA
SCHEMBL3239740 0.77 LMNA (0.66) L3MBTL1MAPTMAOBLMNAGAA
SCHEMBL31041187 0.76 SLC6A9 (0.47) L3MBTL1MAPTLMNAHPGDALDH1A1
SCHEMBL2576272 0.76 ABCB1 (0.51) L3MBTL1MAPTMAOBLMNAGAA
SCHEMBL2579090 0.76 ABCB1 (0.48) L3MBTL1MAPTMAOBFFAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed