SCHEMBL3672416

SCHEMBL3672416

Cc1cc(C(=O)C(C)(C)O)ccc1COCc1cc(C(=O)C(C)(C)O)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
MAOB P27338 1/20 0.38
EPHX2 P34913 1/20 0.36
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MMP1 P03956 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL3674836 0.94 MRGPRX4 (0.41) MRGPRX4S1PR1S1PR3MAOBEPHX2
SCHEMBL3742558 0.94 S1PR1 (0.40) S1PR1S1PR3MAOBEPHX2HTT
SCHEMBL3675015 0.88 S1PR1 (0.39) S1PR1S1PR3MAOBEPHX2HTT
SCHEMBL3677136 0.88 MRGPRX4 (0.39) MRGPRX4S1PR1S1PR3MAOBHTT
SCHEMBL3677668 0.85 S1PR1 (0.31) MRGPRX4S1PR1S1PR3
SCHEMBL3671501 0.81 ACE2 (0.40) EPHX2TSHRMAPK1
SCHEMBL3677422 0.81 ACE2 (0.40) MRGPRX4S1PR1S1PR3EPHX2TSHR
SCHEMBL3671198 0.80 LMNA (0.37) MAOBEPHX2HTTSMN1; SMN2MAPT
SCHEMBL3673889 0.79 ALDH1A1 (0.34) S1PR1S1PR3MAPTALDH1A1TSHR
SCHEMBL3671819 0.79 ALDH1A1 (0.34) S1PR1S1PR3MAPTALDH1A1TSHR

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