SCHEMBL3671276

SCHEMBL3671276

CN(CCOCc1ccc(C(=O)C(C)(C)O)cc1)CCOCc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.38
ALDH1A1 P00352 4/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
NR4A2 P43354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
RXRG P48443 1/20 0.36
S1PR1 P21453 1/20 0.35
DRD2 P14416 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3729865 0.86 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2RXRG
SCHEMBL3674901 0.86 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2RXRG
SCHEMBL5569738 0.86 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2RXRG
SCHEMBL3674933 0.86 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2RXRG
SCHEMBL3669491 0.86 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2RXRG
SCHEMBL3671829 0.86 ALDH1A1 (0.42) ALDH1A1RXRARXRBNR4A2RXRG
SCHEMBL3676681 0.85 RXRA (0.36) ESRRGALDH1A1RXRARXRBNR4A2
SCHEMBL278995 0.84 ALDH1A1 (0.46) ALDH1A1RXRARXRBNR4A2RXRG
SCHEMBL3670889 0.84 ALDH1A1 (0.46) ALDH1A1RXRARXRBNR4A2RXRG
SCHEMBL3671428 0.83 L3MBTL1 (0.44) ALDH1A1RXRARXRBNR4A2L3MBTL1

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