SCHEMBL24474657

SCHEMBL24474657

COC(=O)COc1ccc(OF)cc1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.53
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.53
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL1244071 0.84 PPARG (0.52) PPARDPPARGPPARAHTTLMNA
SCHEMBL13484525 0.82 PPARD (0.54) PPARDPPARGPPARAHTTLMNA
SCHEMBL5108537 0.81 ALDH1A1 (0.57) PPARDPPARGPPARAHTTLMNA
SCHEMBL4186855 0.81 PPARD (0.55) PPARDPPARGPPARAHTTLMNA
SCHEMBL28827968 0.81 HPGD (0.62) HTTLMNAKDM4EPOLBGAA
SCHEMBL1777832 0.80 PPARD (0.49) PPARDPPARGPPARAHTTLMNA
SCHEMBL4181337 0.80 PPARD (0.49) PPARDPPARGPPARAHTTLMNA
SCHEMBL4181344 0.80 PPARD (0.49) PPARDPPARGPPARAHTTKDM4E
SCHEMBL1245338 0.80 LMNA (0.50) HTTLMNAKDM4EPOLBTSHR
SCHEMBL4887579 0.78 CYP1A2 (0.69) HTTLMNAKDM4EPOLBGAA

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-2022115326-A1 METHODS OF MAKING A PPAR-DELTA AGONIST RENEO PHARMACEUTICALS, INC. (US) 2022-06-02 WO disclosed