SCHEMBL11451738

SCHEMBL11451738

O=C(O)C(O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.56
▸ PPARA Q07869 2/20 0.56
▸ KDM4E B2RXH2 3/20 0.55
▸ MRGPRX4 Q96LA9 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ NR4A2 P43354 1/20 0.51
▸ PTGES O14684 1/20 0.48
▸ ALOX5 P09917 1/20 0.48

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
SCHEMBL11615927 0.81 KDM4E (0.47) PPARGPPARAKDM4EMRGPRX4ALDH1A1
SCHEMBL19750630 0.80 KDM4E (0.56) KDM4EMRGPRX4ALDH1A1GAA
SCHEMBL4046553 0.80 KDM4E (0.56) KDM4EMRGPRX4ALDH1A1GAA
SCHEMBL29847359 0.80 KDM4E (0.56) KDM4EMRGPRX4ALDH1A1GAA
SCHEMBL817445 0.79 TSHR (0.60) PPARGPPARAKDM4EMRGPRX4ALDH1A1
SCHEMBL16414719 0.79 TSHR (0.60) PPARGPPARAKDM4EMRGPRX4ALDH1A1
SCHEMBL16414613 0.79 TSHR (0.60) PPARGPPARAKDM4EMRGPRX4ALDH1A1
SCHEMBL4047162 0.79 L3MBTL1 (0.54) KDM4EMRGPRX4ALDH1A1GAA
SCHEMBL585546 0.78 KDM4E (0.68) PPARGPPARAKDM4EMRGPRX4ALDH1A1
SCHEMBL31645913 0.78 KDM4E (0.68) PPARGPPARAKDM4EMRGPRX4ALDH1A1

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
US-4189606-A ABOSTIFACIENT GRUPPO LEPETIT S.P.A. (IT) 1980-02-19 — — US disclosed
US-4182903-A ABOSTIFACIENTS GRUPPO LEPETIT S.P.A. (IT) 1980-01-08 — — US disclosed
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