SCHEMBL3674836

SCHEMBL3674836

Cc1ccc(C(=O)C(C)(C)O)cc1COCc1cc(C(=O)C(C)(C)O)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
MAOB P27338 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3672416 0.94 MRGPRX4 (0.38) MRGPRX4MAOBMAPTLMNAHTT
SCHEMBL3677136 0.94 MRGPRX4 (0.39) MRGPRX4MAOBMAPTLMNAHTT
SCHEMBL3742558 0.87 S1PR1 (0.40) MAOBMAPTLMNAHTTSMN1; SMN2
SCHEMBL3674292 0.84 CYP2D6 (0.32) MRGPRX4
SCHEMBL3676253 0.83 PKM (0.46) MRGPRX4MAOBMAPTLMNAHTT
SCHEMBL3671501 0.83 ACE2 (0.40) MAPK1TSHREPHX2
SCHEMBL3677422 0.83 ACE2 (0.40) MRGPRX4MAPK1TSHREPHX2S1PR1
SCHEMBL3671819 0.81 ALDH1A1 (0.34) MAPTMAPK1ALDH1A1TDP1POLB
SCHEMBL3673889 0.81 ALDH1A1 (0.34) MAPTMAPK1ALDH1A1TDP1POLB
SCHEMBL3674798 0.81 ALDH1A1 (0.34) MAPTMAPK1ALDH1A1TDP1POLB

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