SCHEMBL4421789

SCHEMBL4421789

CC(C)(O)C(=O)c1ccc(C(OCCOC(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 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.37
SLC6A3 Q01959 7/20 0.37
SLC6A2 P23975 2/20 0.36
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL4428061 0.95 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL4421939 0.95 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL4418976 0.95 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL4421960 0.95 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL4423624 0.95 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL3090334 0.95 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL4429409 0.95 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL4427917 0.95 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRM2ADRA2A
SCHEMBL4424402 0.95 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2SCN1ASCN2A
SCHEMBL4414827 0.94 MLYCD (0.36) SLC6A4SLC6A3ADRA1AHTT

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