SCHEMBL3677451

SCHEMBL3677451

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.38
ELANE P08246 1/20 0.35
GCGR P47871 5/20 0.35
ADCY6 O43306 3/20 0.35
ADCY3 O60266 3/20 0.35
ADCY9 O60503 3/20 0.35
ADCY5 O95622 3/20 0.35
ADCY8 P40145 3/20 0.35
ADCY7 P51828 3/20 0.35
ADCY2 Q08462 3/20 0.35
ADCY1 Q08828 3/20 0.35
ADCY4 Q8NFM4 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACE P12821 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
EPHX2 P34913 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
LMNA P02545 2/20 0.33
ESR1 P03372 2/20 0.33

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
SCHEMBL3668173 0.93 HSD17B10 (0.37) USP5GCGRADCY6ADCY3ADCY9
SCHEMBL5569722 0.91 HSD17B10 (0.36) USP5GCGRADCY6ADCY3ADCY9
SCHEMBL3671962 0.88 PTGS1 (0.34) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL3670931 0.81 ALDH1A1 (0.41) NR1H4EPHX2ADRB3
SCHEMBL3673110 0.79 FFAR1 (0.34) GCGRLMNAESR1ESR2FFAR1
SCHEMBL3674302 0.77 ALDH1A1 (0.40) L3MBTL1LMNACYP2C9AKR1C3ADRB3
SCHEMBL2637707 0.76 ACE (0.53) ACEFFAR1
SCHEMBL3673246 0.76 MRGPRX4 (0.39) NR1H4NFKB1MME
SCHEMBL9808641 0.76 NR1H4 (0.54) L3MBTL1NR1H4EPHX2LMNAFFAR1
SCHEMBL4104840 0.75 USP5 (0.39) USP5ELANEL3MBTL1LMNAESR1

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