SCHEMBL10554171

SCHEMBL10554171

O=C(O)c1ccc(F)cc1COc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.54
MAOB P27338 3/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
KDM4C Q9H3R0 1/20 0.50
FFAR1 O14842 3/20 0.49
FFAR4 Q5NUL3 3/20 0.49
PPARA Q07869 3/20 0.49
MAOA P21397 1/20 0.48
GSK3B P49841 2/20 0.47
BACE1 P56817 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC16A3 O15427 1/20 0.46

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
SCHEMBL1721145 0.92 NR4A2 (0.51) NR4A2MAOBALDH1A1FFAR1FFAR4
SCHEMBL10566317 0.89 FFAR4 (0.52) NR4A2MAOBFFAR1FFAR4PPARA
SCHEMBL1918298 0.88 NR4A2 (0.49) NR4A2MAOBALDH1A1GAAKDM4C
SCHEMBL13939923 0.88 RAB9A (0.59) NR4A2MAOBALDH1A1GAAKDM4C
SCHEMBL9845266 0.81 NR4A2 (0.56) NR4A2NPC1RAB9A
SCHEMBL3977944 0.79 NR4A2 (0.58) NR4A2MAOBKDM4CFFAR1FFAR4
SCHEMBL28605553 0.78 PARP10 (0.49) MAOBALDH1A1GAAFFAR1FFAR4
SCHEMBL16429122 0.77 KEAP1 (0.52) ALDH1A1GAAMAPTKMT2A
SCHEMBL10565772 0.77 RXRA (0.51) NR4A2MAOBFFAR1FFAR4PPARA
SCHEMBL4420072 0.77 NR4A2 (0.59) NR4A2MAOBFFAR1PPARAMAOA

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-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US disclosed
EP-0269755-A1 DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-08 EP disclosed