SCHEMBL11756569

SCHEMBL11756569

CC(=O)OCC(C)(Oc1ccc(COc2ccc(F)cc2)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.51
▸ PPARG P37231 4/20 0.49
▸ NR4A2 P43354 2/20 0.49
▸ PPARA Q07869 2/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ ALOX5 P09917 2/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RXRA P19793 1/20 0.43

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
SCHEMBL11751579 0.91 KCNN4 (0.39) MAOBPPARGPPARALMNAALDH1A1
SCHEMBL11753421 0.90 MAOB (0.52) MAOBPPARGNR4A2PPARAPPARD
SCHEMBL11753302 0.89 MAOB (0.51) MAOBPPARGNR4A2PPARAPPARD
SCHEMBL11749695 0.87 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL11749185 0.87 PPARA (0.38) PPARGPPARAPPARDLMNAALDH1A1
SCHEMBL11755471 0.83 PPARG (0.49) MAOBPPARGNR4A2PPARAPPARD
SCHEMBL11751274 0.83 MAOB (0.58) MAOBPPARGNR4A2PPARAPPARD
SCHEMBL11600958 0.80 PPARG (0.57) MAOBPPARGNR4A2PPARAPPARD
SCHEMBL11745178 0.79 MAPT (0.43) PPARGPPARAPPARDLMNAALDH1A1
SCHEMBL11752749 0.79 ALDH1A1 (0.39) MAOBPPARGPPARAPPARDMEN1

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
US-4051173-A Phenoxyalkanol derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US disclosed
Send feedback