SCHEMBL4795285

SCHEMBL4795285

CCc1cc(C(=O)c2ccc(OCF)cc2)c(NC(=O)c2cccc(SCC(=O)O)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
GFER P55789 1/20 0.47
ALDH1A1 P00352 9/20 0.46
MAPT P10636 7/20 0.46
KDM4E B2RXH2 7/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRIN2C Q14957 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 3/20 0.40
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL3587284 0.89 NPSR1 (0.49) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL3593123 0.80 NPSR1 (0.52) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL4730677 0.80 NPSR1 (0.52) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL3585000 0.78 NPSR1 (0.64) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL4730681 0.78 NPSR1 (0.54) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL4674668 0.77 NPSR1 (0.50) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL4670934 0.76 NPSR1 (0.54) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL3596620 0.75 NPSR1 (0.62) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL3586151 0.75 NPSR1 (0.50) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL14160296 0.75 ALDH1A1 (0.51) NPSR1GFERALDH1A1MAPTKDM4E

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