SCHEMBL2957409

SCHEMBL2957409

Cc1ccc(N[C@@H](Cc2ccccc2)C(=O)[CH]Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP9 P14780 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
PSMB5 P28074 2/20 0.43
IDO1 P14902 1/20 0.43
TACR1 P25103 1/20 0.42
PPARG P37231 2/20 0.42
PSMB8 P28062 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
FPR2 P25090 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7100965 0.84 PPARG (0.55) GAAMAPTMAPK1NPSR1MMP9
SCHEMBL10692667 0.84 PPARG (0.55) GAAMAPTMAPK1NPSR1MMP9
SCHEMBL4565010 0.82 CTSG (0.50) GAAMAPTMAPK1NPSR1MMP9
SCHEMBL2957410 0.82 CTSG (0.50) GAAMAPTMAPK1NPSR1MMP9
SCHEMBL10690483 0.82 PPARG (0.51) GAAMAPTMAPK1NPSR1MMP9
SCHEMBL10690468 0.82 PPARG (0.51) GAAMAPTMAPK1NPSR1MMP9
SCHEMBL28085748 0.81 MAPK1 (0.49) GAAMAPTMAPK1NPSR1MMP9
SCHEMBL10690475 0.81 MMP9 (0.48) GAAMAPTMAPK1NPSR1MMP9
Hydrochloric Acid SCHEMBL1499448 0.80 MMP9 (0.47) GAAMAPTMAPK1NPSR1MMP9
SCHEMBL6331296 0.80 MMP9 (0.61) GAAMAPTMMP9ALDH1A1

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-1708740-B1 PROTEASE INHIBITORS FOR THE TREATMENT OF DIGESTIVE PATHOLOGIES RYTEK (FR) 2010-09-29 EP claimed
EP-1708740-B1 PROTEASE INHIBITORS FOR THE TREATMENT OF DIGESTIVE PATHOLOGIES RYTEK (FR) 2010-09-29 EP disclosed