SCHEMBL3673246

SCHEMBL3673246

CC(C)(O)C(=O)c1ccc(CC(OC(=O)c2cccc(C(=O)O)c2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
SLC7A5 Q01650 2/20 0.38
MMP13 P45452 1/20 0.36
FOLH1 Q04609 1/20 0.36
UTS2R Q9UKP6 2/20 0.36
MME P08473 1/20 0.36
MMEL1 Q495T6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEP1B Q16820 2/20 0.36
PPM1D O15297 1/20 0.35

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
SCHEMBL3670931 0.89 ALDH1A1 (0.41) NR4A2NR1H4FOLH1UTS2R
SCHEMBL3674302 0.82 ALDH1A1 (0.40) UTS2RTP53
SCHEMBL5334341 0.82 MRGPRX4 (0.52) MRGPRX4UTS2RSMN1; SMN2TP53PKM
SCHEMBL5335225 0.82 NR4A2 (0.51) MRGPRX4NR4A2MEP1B
SCHEMBL5337633 0.81 NR4A2 (0.47) MRGPRX4NR4A2FOLH1SMN1; SMN2TP53
SCHEMBL10067694 0.79 ESR1 (0.45) SLC7A5SMN1; SMN2TP53
SCHEMBL11344794 0.77 ESR1 (0.44) SLC7A5
SCHEMBL3671962 0.77 PTGS1 (0.34) NR1H4NFKB1
SCHEMBL9419435 0.77 ALDH1A1 (0.48) FOLH1UTS2RTP53
SCHEMBL3677451 0.76 USP5 (0.38) NR1H4MMENFKB1

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