SCHEMBL957036

SCHEMBL957036

COCC(Oc1cccc(C(F)(F)F)c1)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 3/20 0.40
DRD2 P14416 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL999411 0.88 LTA4H (0.43) LTA4HHRH3L3MBTL1PPARGPPARA
SCHEMBL999410 0.88 LTA4H (0.43) LTA4HHRH3L3MBTL1PPARGPPARA
SCHEMBL959991 0.88 LTA4H (0.43) LTA4HHRH3L3MBTL1PPARGPPARA
SCHEMBL996213 0.71 SLC6A4 (0.42) LTA4HHRH3ALDH1A1KDM4EKMT2A
SCHEMBL996214 0.71 SLC6A4 (0.42) LTA4HHRH3ALDH1A1KDM4EKMT2A
SCHEMBL178468 0.69 ALDH1A1 (0.53) L3MBTL1PPARGPPARAALDH1A1GAA
SCHEMBL24342044 0.69 PPARG (0.52) L3MBTL1PPARGPPARAALDH1A1GAA
SCHEMBL8889857 0.69 PPARG (0.49) L3MBTL1PPARGPPARAALDH1A1GAA
SCHEMBL12409058 0.68 L3MBTL1 (0.66) LTA4HHRH3L3MBTL1ALDH1A1GAA
SCHEMBL11244902 0.68 LTA4H (0.81) LTA4HHRH3L3MBTL1ALDH1A1GAA

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-2011011231-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-01-27 WO disclosed