SCHEMBL17875159

SCHEMBL17875159

Brc1ccccc1-c1cccc(-c2ccc3oc4ccccc4c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.46
PLA2G4A P47712 4/20 0.46
PLA2G10 O15496 1/20 0.46
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
AHR P35869 2/20 0.40
GABRP O00591 1/20 0.38

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
SCHEMBL3046955 0.94 MAPT (0.49) PLA2G2APLA2G4AALOX5ALDH1A1NPC1
SCHEMBL30513484 0.94 MAPT (0.49) PLA2G2APLA2G4AALOX5ALDH1A1NPC1
SCHEMBL18655626 0.86 ALOX5 (0.50) PLA2G2APLA2G4APLA2G10ALOX5ALDH1A1
SCHEMBL804535 0.85 PLA2G2A (0.57) PLA2G2APLA2G4APLA2G10ALOX5ALDH1A1
SCHEMBL15836011 0.85 PLA2G2A (0.57) PLA2G2APLA2G4APLA2G10ALOX5ALDH1A1
SCHEMBL15855170 0.85 PLA2G2A (0.57) PLA2G2APLA2G4APLA2G10ALOX5ALDH1A1
SCHEMBL15855167 0.85 PLA2G2A (0.57) PLA2G2APLA2G4APLA2G10ALOX5ALDH1A1
SCHEMBL15836068 0.85 PLA2G2A (0.57) PLA2G2APLA2G4APLA2G10ALOX5ALDH1A1
SCHEMBL15855190 0.85 PLA2G2A (0.57) PLA2G2APLA2G4APLA2G10ALOX5ALDH1A1
SCHEMBL15855182 0.85 PLA2G2A (0.57) PLA2G2APLA2G4APLA2G10ALOX5ALDH1A1

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
WO-2016102413-A1 PROCESS FOR THE MANUFACTURE OF SPIRODIBENZOSUBERANE COMPOUNDS SOLVAY SA (BE) 2016-06-30 WO disclosed
EP-3037413-A1 Process for the manufacture of dibenzosuberane compounds Solvay SA (BE) 2016-06-29 EP disclosed