SCHEMBL3676596

SCHEMBL3676596

CN(C)Cc1ccc(C(=O)C(C)(C)O)cc1CN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR2 P34972 6/20 0.40
CNR1 P21554 3/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP2A13 Q16696 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL3673130 0.90 CYP2C9 (0.49) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL3671623 0.87 CYP2C9 (0.46) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL3671777 0.82 ALDH1A1 (0.46) ALOX15POLBMEN1KMT2AKDM4E
SCHEMBL3672690 0.81 KMT2A (0.44) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL5668424 0.80 LMNA (0.44) CYP2C9ALOX15HSD17B10HIF1AEPAS1
SCHEMBL3673792 0.77 ALDH1A1 (0.42) ALOX15POLBMEN1KMT2AKDM4E
SCHEMBL3674751 0.76 HRH3 (0.59) HIF1AEPAS1HRH3KMT2AHPGD
SCHEMBL3676655 0.76 ALDH1A1 (0.43) ALOX15POLBMEN1KMT2AKDM4E
SCHEMBL14700252 0.74 ABL1 (0.53) CYP2C9HIF1AEPAS1HRH3HPGD
SCHEMBL3679218 0.74 ALDH1A1 (0.46) ALOX15MEN1KMT2AMAPTALDH1A1

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