SCHEMBL6400913

SCHEMBL6400913

Oc1ccc(-c2[c]c3ccccc3cc2-c2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.44
ESR1 P03372 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
GAPDH P04406 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABL1 P00519 2/20 0.43
ABCB1 P08183 2/20 0.43
BCR P11274 2/20 0.43
GPR84 Q9NQS5 1/20 0.39
USP7 Q93009 1/20 0.38
APP P05067 1/20 0.38
MMP3 P08254 1/20 0.38
BCL2L1 Q07817 1/20 0.38
ALOX5 P09917 1/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL7200530 0.84 ESR2 (0.45) ESR2ESR1ALDH1A1HPGDNPC1
SCHEMBL4808028 0.83 MEN1 (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9418173 0.81 ESR2 (0.43) ESR2ESR1ALDH1A1HPGDNPC1
SCHEMBL5887304 0.79 ABL1 (0.47) ALDH1A1HPGDNPC1GAPDHRAB9A
SCHEMBL4014642 0.77 GSTP1 (0.48) ESR2ESR1ALDH1A1HPGDNPC1
SCHEMBL5887228 0.76 MEN1 (0.40) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4808761 0.76 MEN1 (0.40) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5887233 0.73 LTA4H (0.49) ALDH1A1NPC1GAPDHRAB9ASMN1; SMN2
SCHEMBL5887216 0.73 AURKA (0.45) NPC1RAB9ASMN1; SMN2ABL1ABCB1
SCHEMBL6942856 0.73 BACE1 (0.45) ESR2ESR1ALDH1A1HPGDNPC1

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-6955851-B2 Hydroxyaryl phosphine oxides, glycidyl ethers and epoxy compositions, composites and laminates derived therefrom PABU SERVICES, INC. (US) 2005-10-18 US disclosed
US-6733698-B2 Mixture of mono-, bis- and tris-(hydroxyaryl) phosphine oxides useful to make polyglycidyl ethers or in epoxy compositions PABU SERVICES, INC. 2004-05-11 US disclosed