SCHEMBL3673130

SCHEMBL3673130

CC(C)(O)C(=O)c1ccc(CN2CCOCC2)c(CN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CNR2 P34972 6/20 0.45
CNR1 P21554 3/20 0.44
CYP2A13 Q16696 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3671623 0.94 CYP2C9 (0.46) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL3672690 0.90 KMT2A (0.44) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL3676596 0.90 CYP2C9 (0.43) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL3674751 0.82 HRH3 (0.59) HRH3HPGDKMT2AKDM4E
SCHEMBL14700252 0.80 ABL1 (0.53) CYP2C9HRH3HPGDKDM4ELMNA
SCHEMBL3672694 0.73 NPC1 (0.43) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL4909115 0.72 CYP2A13 (0.55) CYP2C9ALOX15HSD17B10CYP2A13HPGD
SCHEMBL20496783 0.72 CNR2 (0.56) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL1011690 0.72 CYP2A13 (0.55) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL22163978 0.72 MAPT (0.56) ALOX15HSD17B10HPGDMEN1KMT2A

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