SCHEMBL6956396

SCHEMBL6956396

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.35
PPARA Q07869 7/20 0.34
MAOB P27338 1/20 0.33
RAB9A P51151 2/20 0.33
PPARG P37231 4/20 0.33
F10 P00742 1/20 0.32
DRD3 P35462 3/20 0.32
DRD2 P14416 1/20 0.32
PARK7 Q99497 1/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
IDH1 O75874 1/20 0.31

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
SCHEMBL6956393 0.83 PPARA (0.37) CHRM5PPARAPPARGF10DRD3
SCHEMBL6952324 0.74 PPARG (0.46) PPARAPPARG
SCHEMBL6949460 0.72 PPARA (0.42) PPARAPPARGF10DRD2PARK7
SCHEMBL6947132 0.68 ALDH1A1 (0.41) PPARAPPARG
SCHEMBL6945497 0.68 PPARG (0.36) PPARAPPARGDRD3
SCHEMBL6952379 0.68 PPARG (0.32) PPARAPPARG
SCHEMBL6955247 0.67 MAPT (0.44) PPARAPPARG
SCHEMBL6954585 0.64 TNF (0.41) PPARARAB9APPARGNPC1
SCHEMBL6957510 0.64 MAPK1 (0.57) RAB9ANPC1
SCHEMBL6952396 0.64 MEN1 (0.46) PPARARAB9APPARGNPC1

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