SCHEMBL3672690

SCHEMBL3672690

COCc1cc(C(=O)C(C)(C)O)ccc1CN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
CNR2 P34972 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.40
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
KCNJ1 P48048 1/20 0.39
NPC1 O15118 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
SCHEMBL3673130 0.90 CYP2C9 (0.49) KMT2AKDM4EMAPTLMNACYP2C9
SCHEMBL3671623 0.84 CYP2C9 (0.46) KMT2AKDM4EMAPTLMNACYP2C9
SCHEMBL3676596 0.81 CYP2C9 (0.43) KMT2AKDM4EMAPTLMNACYP2C9
SCHEMBL3670792 0.81 MEN1 (0.36) KMT2AMAPTALDH1A1RECQLNPC1
SCHEMBL3669986 0.81 ALDH1A1 (0.53) KMT2AKDM4EMAPTALOX15HSD17B10
SCHEMBL3674798 0.77 ALDH1A1 (0.34) KMT2AMAPTALDH1A1MAPK1TSHR
SCHEMBL3671819 0.77 ALDH1A1 (0.34) KMT2AMAPTALDH1A1MAPK1TSHR
SCHEMBL3673889 0.77 ALDH1A1 (0.34) KMT2AMAPTALDH1A1MAPK1TSHR
SCHEMBL3673304 0.77 ACE2 (0.40) KMT2AMAPTALDH1A1
SCHEMBL3672692 0.76 KMT2A (0.42) KMT2AKDM4EMAPTLMNACYP2C9

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