SCHEMBL3671777

SCHEMBL3671777

CN(C)Cc1ccc(C(=O)C(C)(C)O)cc1CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
PABPC1 P11940 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3673792 0.94 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL3676655 0.92 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL3679218 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL3675044 0.88 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL3676596 0.82 CYP2C9 (0.43) ALDH1A1MEN1KMT2AALOX15POLB
SCHEMBL3673214 0.79 EPHX2 (0.39) ALDH1A1KMT2ACYP2C19CYP1A2POLB
SCHEMBL3674783 0.79 LSS (0.48) ALDH1A1POLBGAAMAPT
SCHEMBL3671847 0.79 ACE2 (0.45) MLYCDACE2
SCHEMBL3671198 0.79 LMNA (0.37) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL3668232 0.76 ACE2 (0.43) ALDH1A1MLYCDACE2

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 3 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