SCHEMBL4415201

SCHEMBL4415201

CN(CCOCCO)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 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.36
OPRM1 P35372 1/20 0.36
TXNRD1 Q16881 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
LSS P48449 1/20 0.30

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
SCHEMBL4420950 0.99 OPRD1 (0.36) OPRD1OPRM1TXNRD1ALDH1A1TSHR
SCHEMBL4427266 0.91 LSS (0.35) OPRD1OPRM1TXNRD1HPGDLSS
SCHEMBL3102250 0.86 OPRD1 (0.40) OPRD1OPRM1TXNRD1ALDH1A1TSHR
SCHEMBL4420951 0.83 PHLPP2 (0.46) TXNRD1ALDH1A1TSHR
SCHEMBL13999298 0.83 OPRD1 (0.41) OPRD1OPRM1TXNRD1ALDH1A1TSHR
SCHEMBL4428093 0.82 TXNRD1 (0.39) OPRD1OPRM1TXNRD1ALDH1A1
SCHEMBL4413065 0.82 TXNRD1 (0.42) OPRD1OPRM1TXNRD1
SCHEMBL4423408 0.82 TXNRD1 (0.40) OPRD1OPRM1TXNRD1ALDH1A1
SCHEMBL3671967 0.82 OPRD1 (0.48) OPRD1OPRM1ALDH1A1TSHRL3MBTL1
SCHEMBL4427273 0.80 DNM1 (0.39) OPRD1OPRM1TXNRD1L3MBTL1LSS

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