SCHEMBL7311892

SCHEMBL7311892

CC(C)(CC(=O)NO)Sc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PPARA Q07869 1/20 0.38
PNLIP P16233 1/20 0.37

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
SCHEMBL7302768 0.86 MAPT (0.45) L3MBTL1TDP1MAPTHPGDLMNA
SCHEMBL7311896 0.81 MMP1 (0.50) MMP1L3MBTL1TDP1MAPTHTR2A
SCHEMBL7304538 0.76 MMP1 (0.48) MMP1L3MBTL1TDP1MAPTHTR2A
SCHEMBL27464049 0.70 MMP1 (0.43) MMP1L3MBTL1MAPTLMNAMEN1
SCHEMBL15911145 0.68 L3MBTL1 (0.63) L3MBTL1TDP1MAPTHPGDLMNA
SCHEMBL8183410 0.68 L3MBTL1 (0.53) L3MBTL1TDP1MAPTLMNAMEN1
SCHEMBL7298900 0.67 MMP1 (0.48) MMP1HTT
SCHEMBL7617296 0.67 MAPT (0.50) L3MBTL1TDP1MAPTHPGDLMNA
SCHEMBL7302773 0.66 ALDH1A1 (0.45) MMP1L3MBTL1MAPTLMNAHTR2A
SCHEMBL16316797 0.66 L3MBTL1 (0.56) L3MBTL1TDP1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed