SCHEMBL6582189

SCHEMBL6582189

OC/C=C/c1ccc(OCc2coc(-c3ccccc3)n2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.43
PPARA Q07869 6/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 1/20 0.37
LMNA P02545 2/20 0.36
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 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
SCHEMBL6582193 1.00 FFAR1 (0.43) FFAR1PPARAPPARGPPARDLMNA
SCHEMBL6583463 0.87 PTGS1 (0.44) FFAR1PPARAPPARGTSHR
SCHEMBL6583457 0.87 PTGS1 (0.44) FFAR1PPARAPPARGTSHR
SCHEMBL8482926 0.76 FFAR1 (0.42) FFAR1PPARAPPARGPPARDLMNA
SCHEMBL8482892 0.73 CA2 (0.57) LMNA
SCHEMBL8482890 0.73 CA2 (0.57) LMNA
SCHEMBL6582223 0.72 TRPA1 (0.48) FFAR1PPARAPPARG
SCHEMBL6582227 0.72 TRPA1 (0.48) FFAR1PPARAPPARG
SCHEMBL6586838 0.71 KDM4E (0.46) FFAR1PPARAPPARGLMNAKMT2A
SCHEMBL6586658 0.71 ALDH1A1 (0.52) FFAR1PPARAPPARGKMT2ATSHR

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