SCHEMBL5079217

SCHEMBL5079217

O=C(c1ccc(O)cc1)c1cccc(Oc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.50
CTNNB1 P35222 1/20 0.47
BCL2 P10415 3/20 0.46
MCL1 Q07820 3/20 0.46
BAD Q92934 1/20 0.46
SRD5A2 P31213 1/20 0.45
LTA4H P09960 1/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
TTR P02766 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HPSE Q9Y251 1/20 0.43
CAMK2A Q9UQM7 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8648435 0.94 LIG1 (0.46) LIG1CTNNB1BCL2MCL1BAD
SCHEMBL29514788 0.91 CTNNB1 (0.53) CTNNB1BCL2MCL1BADSRD5A2
SCHEMBL466195 0.91 CTNNB1 (0.53) CTNNB1BCL2MCL1BADSRD5A2
Benzophenone SCHEMBL28468677 0.88 SRD5A2 (0.57) CTNNB1BCL2MCL1BADSRD5A2
SCHEMBL9646984 0.85 CTNNB1 (0.50) CTNNB1BCL2MCL1BADSRD5A2
SCHEMBL10534226 0.83 LIG1 (0.58) LIG1CTNNB1BCL2MCL1BAD
SCHEMBL10697260 0.81 CTNNB1 (0.53) LIG1CTNNB1SRD5A2LTA4HNR1H2
SCHEMBL29474396 0.81 CTNNB1 (0.46) CTNNB1SRD5A2LMNAMAPTSMN1; SMN2
SCHEMBL8974224 0.81 CTNNB1 (0.46) CTNNB1SRD5A2LMNAMAPTSMN1; SMN2
SCHEMBL8746846 0.81 CTNNB1 (0.65) CTNNB1BCL2MCL1BADSRD5A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359176-B1 Polycarbonates, polyestercarbonates and polyesters having specific branched endgroups BAYER MATERIALSCIENCE AG (DE) 2008-08-27 EP disclosed
US-6825312-B2 POLYCARBONATESTER COPOLYMER MOLDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2004-11-30 US disclosed
US-20040030090-A1 Polycarbonates, polyester carbonates and polyesters with special branched terminal groups BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
EP-1359176-A2 Polycarbonates, polyestercarbonates and polyesters having specific branched endgroups Bayer Aktiengesellschaft (DE) 2003-11-05 EP disclosed