SCHEMBL3671967

SCHEMBL3671967

CN(CCO)C(c1ccccc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.48
OPRM1 P35372 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MLYCD O95822 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN1A P35498 1/20 0.36
HIF1A Q16665 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 1/20 0.35

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 0.94 OPRD1 (0.40) OPRD1OPRM1L3MBTL1MEN1KMT2A
SCHEMBL13999298 0.90 OPRD1 (0.41) OPRD1OPRM1L3MBTL1MLYCDTSHR
SCHEMBL3675207 0.88 OPRD1 (0.46) OPRD1OPRM1L3MBTL1KDM4EATM
SCHEMBL4427196 0.86 OPRD1 (0.48) OPRD1OPRM1L3MBTL1
SCHEMBL4415201 0.82 OPRD1 (0.36) OPRD1OPRM1L3MBTL1TSHRALDH1A1
SCHEMBL4425716 0.81 OPRD1 (0.38) OPRD1OPRM1L3MBTL1MEN1KMT2A
SCHEMBL4420950 0.81 OPRD1 (0.36) OPRD1OPRM1KDM4ETSHRALDH1A1
SCHEMBL7981758 0.81 OPRM1 (0.46) OPRD1OPRM1L3MBTL1KDM4ELMNA
SCHEMBL4427199 0.79 OPRM1 (0.38) OPRD1OPRM1LMNAALDH1A1
SCHEMBL4427266 0.79 LSS (0.35) OPRD1OPRM1GAA

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
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed