SCHEMBL3677136

SCHEMBL3677136

CCOCc1cc(C(=O)C(C)(C)O)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAOB P27338 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL3674836 0.94 MRGPRX4 (0.41) MRGPRX4CA12CA1CA2CA7
SCHEMBL3672416 0.88 MRGPRX4 (0.38) MRGPRX4LMNASMN1; SMN2MAPTHPGD
SCHEMBL3675015 0.88 S1PR1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL3675000 0.88 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL792460 0.83 MRGPRX4 (0.55) MRGPRX4CA12CA1CA2CA7
SCHEMBL3742558 0.81 S1PR1 (0.40) LMNASMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL3676253 0.81 PKM (0.46) MRGPRX4CA2LMNASMN1; SMN2MAPT
SCHEMBL3674292 0.79 CYP2D6 (0.32) MRGPRX4SLC6A2
SCHEMBL3672300 0.78 EPHX2 (0.37) MRGPRX4HPGDALDH1A1NPC1RAB9A
SCHEMBL3682176 0.78 ALDH1A1 (0.42) CA12CA1CA2CA7CA9

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 3 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