SCHEMBL4670934

SCHEMBL4670934

CCc1cc(C(=O)c2ccc(OCF)cc2)c(NC(=O)CSC(CC)C(=O)O)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.54
GFER P55789 1/20 0.51
ALDH1A1 P00352 7/20 0.49
MAPT P10636 6/20 0.49
KDM4E B2RXH2 5/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
GRIN2C Q14957 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 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
SCHEMBL3587724 0.88 NPSR1 (0.53) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL4730677 0.80 NPSR1 (0.52) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL4730681 0.80 NPSR1 (0.54) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL3590537 0.79 NPSR1 (0.68) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL3583282 0.78 NPSR1 (0.54) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL3595031 0.78 NPSR1 (0.54) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL4795285 0.76 NPSR1 (0.49) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL14160301 0.76 ALDH1A1 (0.54) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL3582210 0.76 NPSR1 (0.51) NPSR1GFERALDH1A1MAPTKDM4E
SCHEMBL4802645 0.76 NPSR1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP claimed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO claimed