SCHEMBL4413045

SCHEMBL4413045

CN(CCOC(=O)NCCCCCCNC(=O)OCCNCC(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 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
TXNRD1 Q16881 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MGLL Q99685 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 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
SCHEMBL4413049 0.92 TXNRD1 (0.38) OPRM1OPRD1CHRNB2CHRNB4CHRNA3
SCHEMBL4419003 0.87 TXNRD1 (0.35) OPRM1OPRD1CHRNB2CHRNB4CHRNA3
SCHEMBL4418445 0.84 KEAP1 (0.35) OPRM1OPRD1CHRNB2CHRNB4CHRNA3
SCHEMBL4420951 0.78 PHLPP2 (0.46) TXNRD1RAB9ASMN1; SMN2TSHRSCN1A
SCHEMBL4413065 0.77 TXNRD1 (0.42) OPRM1OPRD1TXNRD1
SCHEMBL4418549 0.76 ACHE (0.38) NPC1RAB9ATSHRLMNAALDH1A1
SCHEMBL4418406 0.76 DNM1 (0.41) OPRM1OPRD1TXNRD1
SCHEMBL4427994 0.76 DNM1 (0.41) OPRM1OPRD1TXNRD1
SCHEMBL4427273 0.75 DNM1 (0.39) OPRM1OPRD1TXNRD1
SCHEMBL4423408 0.75 TXNRD1 (0.40) OPRM1OPRD1TXNRD1LMNAALDH1A1

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