SCHEMBL7302768

SCHEMBL7302768

CC(C)(CC(=O)O)Sc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARA Q07869 3/20 0.43
PPARG P37231 1/20 0.41
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7311892 0.86 MMP1 (0.45) MAPTGAAL3MBTL1TDP1PPARA
SCHEMBL7302773 0.80 ALDH1A1 (0.45) MAPTGAAL3MBTL1PPARAPPARG
SCHEMBL11507588 0.69 GAA (0.52) GAALMNA
SCHEMBL7617296 0.69 MAPT (0.50) MAPTL3MBTL1TDP1HPGDLMNA
SCHEMBL21991844 0.69 PPARA (0.56) MAPTL3MBTL1PPARAPPARGHTR2A
SCHEMBL11507140 0.69 MIF (0.54) MAPTL3MBTL1PPARAPPARGHTR2A
SCHEMBL872958 0.69 CXCL8 (0.67) MAPTGAAL3MBTL1PPARAHTR2A
SCHEMBL27477533 0.68 FFAR1 (0.41) MAPTGAAPPARAPPARGHTR2A
Ammonia Solution, Strong SCHEMBL872909 0.68 CHRM1 (0.65) MAPTGAAL3MBTL1PPARAHTR2A
SCHEMBL27894324 0.68 MAPT (0.68) MAPTGAAL3MBTL1TDP1PPARA

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 2 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
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed