SCHEMBL6956393

SCHEMBL6956393

CCN1CN(CCOc2ccc(CC(SC(C)C)C(N)=O)cc2)C(=O)c2cc(OC)ccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.37
PPARG P37231 10/20 0.35
CHRM5 P08912 1/20 0.34
F10 P00742 1/20 0.33
DRD3 P35462 3/20 0.33
DRD2 P14416 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6956396 0.83 CHRM5 (0.35) PPARAPPARGCHRM5F10DRD3
SCHEMBL6952324 0.77 PPARG (0.46) PPARAPPARG
SCHEMBL6949460 0.75 PPARA (0.42) PPARAPPARGF10DRD2TDP1
SCHEMBL6945497 0.73 PPARG (0.36) PPARAPPARGDRD3POLB
SCHEMBL6952379 0.73 PPARG (0.32) PPARAPPARG
SCHEMBL6955247 0.71 MAPT (0.44) PPARAPPARGPOLBTDP1
SCHEMBL6947127 0.71 ALDH1A1 (0.40) PPARAPPARGPOLBTDP1
SCHEMBL6957295 0.68 PPARG (0.41) PPARAPPARGPOLBTDP1
SCHEMBL6948887 0.66 PPARG (0.41) PPARAPPARGDRD3DRD2
SCHEMBL6954580 0.66 TNF (0.41) PPARAPPARG

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-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed