SCHEMBL4427199

SCHEMBL4427199

CNCC(O)CC(C)(O)C(=O)c1ccc(C(c2ccc(C(=O)C(C)(C)O)cc2)N(C)CCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CHEK2 O96017 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
SCHEMBL3102250 0.84 OPRD1 (0.40) OPRM1OPRD1ALDH1A1LMNACHEK2
SCHEMBL4427196 0.83 OPRD1 (0.48) OPRM1OPRD1CHEK2
SCHEMBL13999298 0.80 OPRD1 (0.41) OPRM1OPRD1ALDH1A1CHEK2
SCHEMBL3671967 0.79 OPRD1 (0.48) OPRM1OPRD1ALDH1A1LMNA
SCHEMBL4415201 0.72 OPRD1 (0.36) OPRM1OPRD1ALDH1A1
SCHEMBL4425716 0.72 OPRD1 (0.38) OPRM1OPRD1ALDH1A1
SCHEMBL4420950 0.71 OPRD1 (0.36) OPRM1OPRD1ALDH1A1
SCHEMBL4420951 0.71 PHLPP2 (0.46) ALDH1A1LMNA
SCHEMBL4413065 0.70 TXNRD1 (0.42) OPRM1OPRD1
SCHEMBL4423398 0.70 MLYCD (0.36) OPRM1OPRD1ALDH1A1

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 3 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