SCHEMBL4423667

SCHEMBL4423667

CC(C)(O)C(=O)c1ccc(C(OCCOCCOC(c2ccc(C(=O)C(C)(C)O)cc2)c2cccc(C(=O)C(C)(C)O)c2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 7/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
CTNNB1 P35222 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SCN1A P35498 1/20 0.33

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
SCHEMBL4551012 1.00 GAA (0.37) GAASLC6A4SLC6A3MEN1KMT2A
SCHEMBL3090334 0.89 SLC6A4 (0.35) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL4428061 0.89 SLC6A4 (0.35) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL4421960 0.89 SLC6A4 (0.35) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL4418976 0.89 SLC6A4 (0.35) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL4429409 0.89 SLC6A4 (0.35) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL4423624 0.89 SLC6A4 (0.35) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL4427917 0.89 SLC6A4 (0.35) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL4421939 0.89 SLC6A4 (0.35) SLC6A4SLC6A3CHRM2HTR1AADRA2A
SCHEMBL4421789 0.85 SLC6A4 (0.37) SLC6A4SLC6A3CHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed