SCHEMBL3675439

SCHEMBL3675439

CC(C)C(c1ccc(C(=O)C(C)(C)O)cc1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TRPA1 O75762 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MLYCD O95822 5/20 0.33
NR1H4 Q96RI1 1/20 0.32
CYP2C9 P11712 2/20 0.32
KAT2B Q92831 2/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
CA2 P00918 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4551014 0.81 CHRNA7 (0.45) ALDH1A1TSHRHSD17B10MLYCDNR1H4
SCHEMBL17571714 0.79 TSHR (0.46) HDAC1HDAC8HDAC6ALDH1A1TSHR
SCHEMBL13457935 0.79 HDAC1 (0.38) HDAC1HDAC8HDAC6ALDH1A1TSHR
SCHEMBL4197514 0.78 ESR1 (0.43) HDAC1HDAC8HDAC6ALDH1A1TSHR
SCHEMBL54909 0.78 CYP2C9 (0.50) ALDH1A1CYP2C9CYP2D6HIF1AHPGD
SCHEMBL3667690 0.77 HDAC1 (0.37) HDAC1HDAC8HDAC6ALDH1A1TSHR
SCHEMBL537689 0.77 PTPN5 (0.38) HDAC1HDAC8HDAC6ALDH1A1TSHR
SCHEMBL11298330 0.75 CA2 (0.46) HDAC1ALDH1A1TSHRMLYCDCA2
SCHEMBL17571721 0.75 CA1 (0.48) ALDH1A1TSHRKAT2BCA2HPGD
SCHEMBL17571705 0.75 HDAC6 (0.50) HDAC1HDAC8HDAC6TSHRKAT2B

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