SCHEMBL4774958

SCHEMBL4774958

CCc1cc(C(=O)c2ccc(F)cc2)c(NC(=O)CC(C)(C)CC(=O)O)s1.CCc1cc(C(=O)c2ccc(F)cc2)c(NC(=O)CSC(C)(C)C(=O)O)s1.CCc1cc(C(=O)c2ccc(F)cc2)c(NC(=O)CSCC(=O)O)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.61
NPSR1 Q6W5P4 5/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 6/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIN2C Q14957 1/20 0.38
POLB P06746 3/20 0.38
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4780336 0.92 GFER (0.61) GFERNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL3598039 0.89 ALDH1A1 (0.53) GFERNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL3592097 0.87 GFER (0.78) GFERNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL3587602 0.86 NPSR1 (0.57) GFERNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL4732502 0.85 GFER (0.62) GFERNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL3590209 0.83 NPSR1 (0.54) GFERNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL4637248 0.83 GFER (0.71) GFERNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL14160269 0.81 ALDH1A1 (0.54) GFERNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL3586692 0.81 ALDH1A1 (0.54) GFERNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL3597711 0.81 ALDH1A1 (0.54) GFERNPSR1ALDH1A1MAPTL3MBTL1

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
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO claimed