SCHEMBL3671659

SCHEMBL3671659

CCNCc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
EPHX2 P34913 7/20 0.40
NR1H4 Q96RI1 5/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ESRRG P62508 1/20 0.39
PLK1 P53350 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
SCHEMBL3671963 0.84 HRH4 (0.50) SMN1; SMN2HDAC6HDAC8HDAC3CYP1A2
SCHEMBL3669489 0.82 EPHX2 (0.45) HDAC6EPHX2NR1H4HDAC8HDAC3
SCHEMBL3673599 0.82 HRH4 (0.55) SMN1; SMN2HDAC8HDAC3CYP1A2CYP2C19
SCHEMBL3673106 0.82 HRH4 (0.55) SMN1; SMN2HDAC8HDAC3CYP1A2CYP2C19
SCHEMBL3682984 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HDAC6EPHX2NR1H4
SCHEMBL1060928 0.80 PLK1 (0.55) ALDH1A1L3MBTL1KMT2APLK1
SCHEMBL3971183 0.80 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1CYP1A2CYP2C19PLK1
SCHEMBL2663103 0.78 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1HDAC6EPHX2NR1H4
SCHEMBL18602133 0.78 KMT2A (0.57) SMN1; SMN2ALDH1A1HDAC6EPHX2NR1H4
SCHEMBL153898 0.77 KMT2A (0.56) ALDH1A1HDAC6EPHX2NR1H4KMT2A

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