SCHEMBL3671623

SCHEMBL3671623

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR2 P34972 6/20 0.42
CNR1 P21554 3/20 0.42
CYP2A13 Q16696 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40

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 0.94 CYP2C9 (0.49) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL3676596 0.87 CYP2C9 (0.43) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL3672690 0.84 KMT2A (0.44) CYP2C9ALOX15HSD17B10CNR2CNR1
SCHEMBL3671847 0.79 ACE2 (0.45)
SCHEMBL3674751 0.79 HRH3 (0.59) HRH3KMT2AKDM4EALDH1A1HPGD
SCHEMBL14700252 0.77 ABL1 (0.53) CYP2C9HRH3KDM4EALDH1A1LMNA
SCHEMBL3668232 0.76 ACE2 (0.43) ALDH1A1
SCHEMBL3676655 0.73 ALDH1A1 (0.43) ALOX15KMT2AKDM4EALDH1A1MAPT
SCHEMBL3671501 0.73 ACE2 (0.40)
SCHEMBL4909115 0.72 CYP2A13 (0.55) CYP2C9ALOX15HSD17B10CYP2A13KMT2A

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 2 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