Sugi Predict

Sugi Predict / Compounds / SCHEMBL4413065

SCHEMBL4413065

SCHEMBL4413065

CN(CCOC(=O)CC(=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 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.42
▸ OPRD1 P41143 3/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL4423408 0.92 TXNRD1 (0.40) TXNRD1OPRD1OPRM1PHLPP2KDM4E
SCHEMBL4428093 0.90 TXNRD1 (0.39) TXNRD1OPRD1OPRM1PHLPP2KDM4E
SCHEMBL4427273 0.90 DNM1 (0.39) TXNRD1OPRD1OPRM1PHLPP2TDP1
SCHEMBL4427994 0.89 DNM1 (0.41) TXNRD1OPRD1OPRM1PHLPP2TDP1
SCHEMBL4418406 0.89 DNM1 (0.41) TXNRD1OPRD1OPRM1PHLPP2TDP1
SCHEMBL4420951 0.88 PHLPP2 (0.46) TXNRD1PHLPP2KDM4E
SCHEMBL4428186 0.86 TXNRD1 (0.36) TXNRD1OPRD1OPRM1
SCHEMBL4413049 0.83 TXNRD1 (0.38) TXNRD1OPRD1OPRM1
SCHEMBL4415201 0.82 OPRD1 (0.36) TXNRD1OPRD1OPRM1
SCHEMBL4420950 0.81 OPRD1 (0.36) TXNRD1OPRD1OPRM1KDM4E

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