SCHEMBL4674668

SCHEMBL4674668

CCc1cc(C(=O)c2cccc(OCF)c2)c(NC(=O)CSCC(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.50
GFER P55789 1/20 0.47
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 5/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 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
SCHEMBL3593884 0.90 NPSR1 (0.60) NPSR1GFERALDH1A1MAPTL3MBTL1
SCHEMBL3585204 0.88 NPSR1 (0.49) NPSR1GFERALDH1A1MAPTL3MBTL1
SCHEMBL3595926 0.85 NPSR1 (0.57) NPSR1GFERALDH1A1MAPTL3MBTL1
SCHEMBL3585329 0.84 NPSR1 (0.50) NPSR1GFERALDH1A1MAPTL3MBTL1
SCHEMBL3584973 0.84 ALDH1A1 (0.51) NPSR1GFERALDH1A1MAPTL3MBTL1
SCHEMBL3594355 0.83 NPSR1 (0.61) NPSR1GFERALDH1A1MAPTL3MBTL1
SCHEMBL3598009 0.82 NPSR1 (0.54) NPSR1GFERALDH1A1MAPTL3MBTL1
SCHEMBL13436133 0.81 NPSR1 (0.46) NPSR1GFERALDH1A1MAPTL3MBTL1
SCHEMBL3580445 0.81 NPSR1 (0.48) NPSR1GFERALDH1A1MAPTL3MBTL1
SCHEMBL13436130 0.81 NPSR1 (0.76) NPSR1GFERALDH1A1MAPTL3MBTL1

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 3 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-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO claimed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO claimed