SCHEMBL4427273

SCHEMBL4427273

CN(CCOC(=O)CCCCC(=O)OCCN(C)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.39
TXNRD1 Q16881 1/20 0.39
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.32
DGKA P23743 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
LSS P48449 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL4418406 0.99 DNM1 (0.41) DNM1TXNRD1OPRM1OPRD1L3MBTL1
SCHEMBL4427994 0.99 DNM1 (0.41) DNM1TXNRD1OPRM1OPRD1L3MBTL1
SCHEMBL4428186 0.95 TXNRD1 (0.36) DNM1TXNRD1OPRM1OPRD1
SCHEMBL4423408 0.95 TXNRD1 (0.40) DNM1TXNRD1OPRM1OPRD1PHLPP2
SCHEMBL4413065 0.90 TXNRD1 (0.42) TXNRD1OPRM1OPRD1PHLPP2TDP1
SCHEMBL4428093 0.88 TXNRD1 (0.39) TXNRD1OPRM1OPRD1PHLPP2
SCHEMBL4420951 0.86 PHLPP2 (0.46) TXNRD1PHLPP2HRH2HRH1GAA
SCHEMBL4413049 0.81 TXNRD1 (0.38) TXNRD1OPRM1OPRD1
SCHEMBL4415201 0.80 OPRD1 (0.36) TXNRD1OPRM1OPRD1L3MBTL1LSS
SCHEMBL4427266 0.80 LSS (0.35) TXNRD1OPRM1OPRD1LSSTHRA

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