SCHEMBL4424402

SCHEMBL4424402

CC(C)(O)C(=O)c1ccc(C(OCCCCOC(c2ccc(C(=O)C(C)(C)O)cc2)c2ccc(C(=O)C(C)(C)O)cc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 1/20 0.35
HNF4A P41235 1/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 2/20 0.35
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL4416269 0.98 GAA (0.38) SLC6A4SLC6A3L3MBTL1RXRAHNF4A
SCHEMBL4427246 0.98 GAA (0.38) SLC6A4SLC6A3L3MBTL1RXRAHNF4A
SCHEMBL4418480 0.98 GAA (0.38) SLC6A4SLC6A3L3MBTL1RXRAHNF4A
SCHEMBL4421923 0.98 GAA (0.38) SLC6A4SLC6A3L3MBTL1RXRAHNF4A
SCHEMBL4429408 0.98 GAA (0.38) SLC6A4SLC6A3L3MBTL1RXRAHNF4A
SCHEMBL4421789 0.95 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2SCN1ASCN2A
SCHEMBL4428594 0.93 TP53 (0.43) RXRAHNF4ATSHRHRH2HRH1
SCHEMBL4425421 0.93 GAA (0.34) SLC6A4SLC6A3L3MBTL1RXRAHNF4A
SCHEMBL4418252 0.93 GAA (0.34) SLC6A4SLC6A3L3MBTL1RXRAHNF4A
SCHEMBL4428061 0.90 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A

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