SCHEMBL4637248

SCHEMBL4637248

CCc1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(NC(=O)CC(C)(C)CC(=O)O)s1.CCc1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(NC(=O)CSCC(=O)O)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.71
NPSR1 Q6W5P4 5/20 0.53
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.45
GRIN2C Q14957 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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
SCHEMBL3586979 0.93 GFER (0.82) GFERNPSR1MAPTALDH1A1KDM4E
SCHEMBL3594355 0.92 NPSR1 (0.61) GFERNPSR1MAPTALDH1A1KDM4E
SCHEMBL4637251 0.90 GFER (0.62) GFERNPSR1MAPTALDH1A1KDM4E
SCHEMBL3597411 0.84 GFER (0.79) GFERNPSR1MAPTALDH1A1KDM4E
SCHEMBL13436127 0.84 GFER (1.00) GFERNPSR1MAPTALDH1A1KDM4E
SCHEMBL3595926 0.83 NPSR1 (0.57) GFERNPSR1MAPTALDH1A1KDM4E
SCHEMBL3588697 0.83 GFER (0.76) GFERNPSR1MAPTALDH1A1KDM4E
SCHEMBL13436130 0.83 NPSR1 (0.76) GFERNPSR1MAPTALDH1A1KDM4E
SCHEMBL4774958 0.83 GFER (0.61) GFERNPSR1MAPTALDH1A1KDM4E
SCHEMBL4780336 0.83 GFER (0.61) GFERNPSR1MAPTALDH1A1KDM4E

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