SCHEMBL11753302

SCHEMBL11753302

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.51
▸ MAOA P21397 4/20 0.51
▸ PPARG P37231 5/20 0.49
▸ NR4A2 P43354 3/20 0.49
▸ PPARA Q07869 3/20 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
▸ 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
▸ RXRB P28702 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ FFAR1 O14842 1/20 0.42

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
SCHEMBL11753871 0.91 PPARA (0.50) PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL11753421 0.90 MAOB (0.52) MAOBMAOAPPARGNR4A2PPARA
SCHEMBL11756569 0.89 MAOB (0.51) MAOBMAOAPPARGNR4A2PPARA
SCHEMBL11750749 0.87 PPARA (0.47) PPARGPPARA
SCHEMBL11747997 0.87 PPARA (0.47) PPARGPPARA
SCHEMBL11750834 0.83 MAOB (0.58) MAOBMAOAPPARGNR4A2PPARA
SCHEMBL11751258 0.83 PPARG (0.49) MAOBMAOAPPARGNR4A2PPARA
SCHEMBL11601217 0.80 PPARG (0.57) MAOBMAOAPPARGNR4A2PPARA
SCHEMBL11745178 0.79 MAPT (0.43) PPARGPPARAPPARDALDH1A1SMN1; SMN2
SCHEMBL11752749 0.79 ALDH1A1 (0.39) MAOBPPARGPPARAPPARDALDH1A1

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