SCHEMBL6583405

SCHEMBL6583405

CCOc1cc(CCCC2NC(=O)OC2=O)ccc1OCc1coc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
PPARA Q07869 5/20 0.38
PPARG P37231 5/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6585594 0.93 PPARG (0.42) FFAR1PPARAPPARGSMN1; SMN2KDM4E
SCHEMBL6586247 0.85 PPARG (0.48) FFAR1PPARAPPARGTP53SMN1; SMN2
SCHEMBL6583397 0.84 PPARG (0.52) FFAR1PPARAPPARGTP53SMN1; SMN2
SCHEMBL8889642 0.81 APP (0.44) SMN1; SMN2KDM4ELMNAMAPK1MAPT
SCHEMBL6587579 0.80 PPARG (0.40) PPARGKDM4ELMNAMAPTHSD17B10
SCHEMBL6969226 0.79 FFAR1 (0.41) FFAR1PPARAPPARGSMN1; SMN2KDM4E
SCHEMBL6583689 0.78 SIRT2 (0.45) SMN1; SMN2KDM4ELMNAMAPK1MAPT
SCHEMBL6584573 0.78 PPARG (0.49) FFAR1PPARAPPARG
SCHEMBL6584254 0.78 PPARG (0.41) PPARGMAPTHSD17B10ALDH1A1
SCHEMBL6584217 0.78 KDM4E (0.43) PPARAPPARGTP53SMN1; SMN2KDM4E

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed