SCHEMBL6533650

SCHEMBL6533650

COC(=O)CC(C)C(=NOCc1ccc(F)cc1F)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
S1PR1 P21453 1/20 0.37
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
GSK3B P49841 1/20 0.35
BACE1 P56817 1/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
GRIN2B Q13224 1/20 0.34
GAA P10253 1/20 0.34
ESRRB O95718 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK14 Q16539 3/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL6507906 0.84 S1PR1 (0.43) MAOBS1PR1MMEGAAESRRB
SCHEMBL6507739 0.83 GRM5 (0.42) MAOBNPC1MAPTRAB9A
SCHEMBL6505176 0.77 S1PR1 (0.43) MAOBS1PR1ESRRBNPC1LMNA
SCHEMBL6507732 0.76 RAB9A (0.47) MAOBGAANPC1LMNAMAPT
SCHEMBL6510873 0.74 PPARG (0.46) MAOBS1PR1NPC1RAB9A
SCHEMBL6533647 0.70 MIF (0.41) MAOBS1PR1MMEACECPA1
SCHEMBL9734549 0.68 CA1 (0.48) ESRRBLMNA
SCHEMBL29836179 0.66 SMN1; SMN2 (0.48) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL3967997 0.66 SMN1; SMN2 (0.48) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL10107287 0.65 MAOB (0.43) MAOBS1PR1IDO1AGXTGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed