SCHEMBL4730677

SCHEMBL4730677

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
GFER P55789 1/20 0.49
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 8/20 0.44
MAPT P10636 7/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
GRIN2C Q14957 1/20 0.40
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 3/20 0.37

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
SCHEMBL3589379 0.89 NPSR1 (0.50) NPSR1GFERALDH1A1KDM4EMAPT
SCHEMBL14160287 0.88 NPSR1 (0.48) NPSR1GFERALDH1A1KDM4EMAPT
SCHEMBL4730681 0.81 NPSR1 (0.54) NPSR1GFERALDH1A1KDM4EMAPT
SCHEMBL3593810 0.81 NPSR1 (0.66) NPSR1GFERALDH1A1KDM4EMAPT
SCHEMBL4670934 0.80 NPSR1 (0.54) NPSR1GFERALDH1A1KDM4EMAPT
SCHEMBL3598116 0.80 NPSR1 (0.52) NPSR1GFERALDH1A1KDM4EMAPT
SCHEMBL3593442 0.80 NPSR1 (0.52) NPSR1GFERALDH1A1KDM4EMAPT
SCHEMBL4795285 0.80 NPSR1 (0.49) NPSR1GFERALDH1A1KDM4EMAPT
SCHEMBL3582210 0.78 NPSR1 (0.51) NPSR1GFERALDH1A1KDM4EMAPT
SCHEMBL3592318 0.76 NPSR1 (0.49) NPSR1GFERALDH1A1KDM4EMAPT

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 disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed