SCHEMBL3669987

SCHEMBL3669987

COc1ccc(C(=O)C(C)(C)N2CCOCC2)c(C)c1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL28429946 0.80 ALDH1A1 (0.53) ALDH1A1NPSR1SMN1; SMN2MAPK1TSHR
SCHEMBL3670794 0.77 MAPK1 (0.51) ALDH1A1SMN1; SMN2MAPK1LMNAMAPT
SCHEMBL9681189 0.77 MAPT (0.58) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL10887010 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPK1TSHRLMNA
SCHEMBL2319695 0.76 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL9681207 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1TSHRLMNA
SCHEMBL3672694 0.72 NPC1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9681204 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL10889434 0.71 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPK1TSHRMAPT
SCHEMBL275396 0.71 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPK1TSHRLMNA

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