SCHEMBL3672300

SCHEMBL3672300

Cc1ccc(C(=O)C(C)(C)O)cc1CNCc1cc(C(=O)C(C)(C)O)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
S1PR1 P21453 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
NR1H4 Q96RI1 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33

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
SCHEMBL5606544 0.87 HPGD (0.35) NPC1RAB9AALDH1A1HPGDMEN1
SCHEMBL3676253 0.83 PKM (0.46) EPHX2S1PR1HPGDNR1H4MRGPRX4
SCHEMBL5606541 0.83 HDAC1 (0.40) NPC1RAB9AALDH1A1NR1H4MEN1
SCHEMBL3674836 0.81 MRGPRX4 (0.41) EPHX2S1PR1ALDH1A1HPGDMRGPRX4
SCHEMBL3677136 0.78 MRGPRX4 (0.39) S1PR1NPC1RAB9AALDH1A1HPGD
SCHEMBL7640361 0.77 SMN1; SMN2 (0.50) NPC1RAB9AALDH1A1HPGDNR1H4
SCHEMBL3672416 0.76 MRGPRX4 (0.38) EPHX2S1PR1NPC1RAB9AALDH1A1
SCHEMBL3671198 0.76 LMNA (0.37) EPHX2ALDH1A1NR1H4MEN1KMT2A
SCHEMBL3669475 0.73 ACE2 (0.43) EPHX2ALDH1A1NR1H4
SCHEMBL3671847 0.73 ACE2 (0.45) EPHX2

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