SCHEMBL4428186

SCHEMBL4428186

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.36
DNM1 Q05193 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
PPARA Q07869 1/20 0.34
LTA4H P09960 5/20 0.33
ESR1 P03372 1/20 0.33
NPC1 O15118 1/20 0.33
CHRM1 P11229 1/20 0.32
USP5 P45974 1/20 0.32

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
SCHEMBL4427273 0.95 DNM1 (0.39) TXNRD1DNM1OPRM1OPRD1
SCHEMBL4418406 0.94 DNM1 (0.41) TXNRD1DNM1OPRM1OPRD1ESR1
SCHEMBL4427994 0.94 DNM1 (0.41) TXNRD1DNM1OPRM1OPRD1ESR1
SCHEMBL4423408 0.91 TXNRD1 (0.40) TXNRD1DNM1OPRM1OPRD1
SCHEMBL4413065 0.86 TXNRD1 (0.42) TXNRD1OPRM1OPRD1
SCHEMBL4428093 0.84 TXNRD1 (0.39) TXNRD1OPRM1OPRD1
SCHEMBL4420951 0.82 PHLPP2 (0.46) TXNRD1
SCHEMBL4427292 0.82 OPRM1 (0.32) OPRM1OPRD1
SCHEMBL4418427 0.81 OPRM1 (0.32) OPRM1OPRD1
SCHEMBL4413049 0.78 TXNRD1 (0.38) TXNRD1OPRM1OPRD1

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