SCHEMBL4861465

SCHEMBL4861465

CCc1nc(-c2ccccc2)cc(=O)n1CCNc1ccccc1SC(C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42
CRHBP P24387 1/20 0.42
MAPK1 P28482 1/20 0.42
CRHR2 Q13324 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
GAA P10253 1/20 0.37
GSK3B P49841 5/20 0.37
KDM4E B2RXH2 1/20 0.35
CGAS Q8N884 1/20 0.35
ADORA1 P30542 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4851255 0.86 ALDH1A1 (0.40) POLBMAPTALDH1A1LMNAPLA2G1B
SCHEMBL4858357 0.78 MAPT (0.35) MAPTALDH1A1GAAGSK3B
SCHEMBL4849243 0.78 POLB (0.46) POLBMAPTALDH1A1GAAGSK3B
SCHEMBL4849212 0.77 POLB (0.38) POLBMAPTALDH1A1GAAGSK3B
SCHEMBL14263912 0.77 PPARG (0.43) POLBMAPTALDH1A1LMNAPLA2G1B
SCHEMBL4852508 0.75 ALDH1A1 (0.44) POLBMAPTALDH1A1LMNAPLA2G1B
SCHEMBL4911932 0.75 PPARG (0.45) GSK3B
SCHEMBL4850688 0.73 SMN1; SMN2 (0.38) POLBMAPTALDH1A1GAAGSK3B
SCHEMBL4857318 0.73 MAPT (0.36) MAPTALDH1A1MAPK1GSK3BADORA1
SCHEMBL14263905 0.72 HPGD (0.37) MAPTALDH1A1GSK3BKDM4EMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 US claimed