SCHEMBL3671962

SCHEMBL3671962

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
CXCR1 P25024 3/20 0.34
CXCR2 P25025 3/20 0.34
LMNA P02545 2/20 0.34
ESR1 P03372 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
ALB P02768 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
NR1I3 Q14994 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
CXCL8 P10145 1/20 0.34
TSHR P16473 1/20 0.34
AKR1C2 P52895 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL3677451 0.88 USP5 (0.38) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL3668173 0.86 HSD17B10 (0.37) ESR1ESR2GCGRADCY6ADCY3
SCHEMBL5569722 0.85 HSD17B10 (0.36) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL3670931 0.82 ALDH1A1 (0.41) ADRB3NR1H4EPHX2
SCHEMBL3673110 0.81 FFAR1 (0.34) LMNAESR1ESR2GCGR
SCHEMBL3674302 0.78 ALDH1A1 (0.40) LMNACYP2C9AKR1C3ADRB3TSHR
SCHEMBL3673246 0.77 MRGPRX4 (0.39) NFKB1NR1H4
SCHEMBL1484827 0.75 EPHX1 (0.46) TSHR
SCHEMBL9808688 0.71 EPHX2 (0.46) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL4413085 0.71 OPRM1 (0.36)

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