SCHEMBL11853239

SCHEMBL11853239

Brc1ccc(COc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.62
MAOB P27338 5/20 0.61
RXRA P19793 1/20 0.60
RXRB P28702 1/20 0.60
FFAR1 O14842 3/20 0.59
FFAR4 Q5NUL3 2/20 0.59
PPARG P37231 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL12717358 0.94 LMNA (0.60) APPMAOBRXRARXRBFFAR1
SCHEMBL419232 0.92 MAOB (0.69) APPMAOBRXRARXRBFFAR1
SCHEMBL891493 0.90 FFAR1 (0.69) APPMAOBFFAR1FFAR4PPARG
SCHEMBL228292 0.88 LMNA (0.67) APPMAOBRXRARXRBFFAR1
SCHEMBL4953 0.86 LMNA (0.64) APPMAOBRXRARXRBFFAR1
SCHEMBL11849334 0.86 LMNA (0.69) APPMAOBFFAR1FFAR4PPARG
SCHEMBL2399080 0.86 APP (0.80) APPMAOBRXRARXRBFFAR1
SCHEMBL11839266 0.85 APP (0.62) APPMAOBRXRARXRBFFAR1
SCHEMBL5538712 0.84 LMNA (0.72) APPMAOBFFAR1FFAR4CA12
SCHEMBL7665986 0.83 MCL1 (0.60) APPMAOBRXRARXRBFFAR1

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-3987102-A PHENOXY (BENZYLOXY) BENZENE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1976-10-19 US claimed