SCHEMBL3670931

SCHEMBL3670931

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
RXRA P19793 4/20 0.40
RXRB P28702 4/20 0.40
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
FOLH1 Q04609 1/20 0.38
UTS2R Q9UKP6 4/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
NR4A2 P43354 1/20 0.37
MAPT P10636 1/20 0.37
RXRG P48443 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
GRIA4 P48058 1/20 0.35
ACACB O00763 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
SCHEMBL3673246 0.89 MRGPRX4 (0.39) FOLH1UTS2RNR4A2NR1H4
SCHEMBL9419435 0.87 ALDH1A1 (0.48) ALDH1A1RXRARXRBANPEPENPEP
SCHEMBL3674302 0.85 ALDH1A1 (0.40) ALDH1A1ADRB1ADRB3UTS2R
SCHEMBL3671962 0.82 PTGS1 (0.34) ADRB3EPHX2NR1H4
SCHEMBL3677451 0.81 USP5 (0.38) ADRB3EPHX2NR1H4
SCHEMBL1096056 0.79 ESR1 (0.49) ALDH1A1ADRB1ADRB3UTS2RNR4A2
SCHEMBL3668173 0.79 HSD17B10 (0.37) EPHX2NR1H4
SCHEMBL5569722 0.78 HSD17B10 (0.36) MAPTEPHX2NR1H4
SCHEMBL480464 0.75 ESR1 (0.51) UTS2RCYP4F2CYP4A11MAPT
SCHEMBL14845141 0.74 TSHR (0.57) ALDH1A1RXRARXRBRXRGEPHX2

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