SCHEMBL3671849

SCHEMBL3671849

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ELANE P08246 1/20 0.35
HPGD P15428 1/20 0.35
MLYCD O95822 5/20 0.34
CYP2C9 P11712 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
FASN P49327 1/20 0.33
SRC P12931 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL480335 0.88 ELANE (0.47) CA2ALDH1A1TSHRHSD17B10CES2
SCHEMBL537689 0.86 PTPN5 (0.38) CA2ALDH1A1TSHRHSD17B10CES2
SCHEMBL11298330 0.84 CA2 (0.46) CA2ALDH1A1TSHRCES2CES1
SCHEMBL29061558 0.84 ALDH1A1 (0.36) CA2ALDH1A1TSHRHSD17B10CES2
SCHEMBL54909 0.83 CYP2C9 (0.50) ALDH1A1HPGDCYP2C9CYP2D6HIF1A
SCHEMBL4197514 0.83 ESR1 (0.43) CA2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL3667690 0.82 HDAC1 (0.37) CA2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL4418041 0.82 CA2 (0.36) CA2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL4418071 0.82 CA2 (0.36) CA2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL3671272 0.82 CA2 (0.36) CA2ALDH1A1TSHRHSD17B10HPGD

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