SCHEMBL3669475

SCHEMBL3669475

Cc1cc(C(=O)C(C)(C)O)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.43
EPHX2 P34913 2/20 0.41
PKM P14618 1/20 0.39
NR1H4 Q96RI1 2/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
MLYCD O95822 1/20 0.33
HSD17B1 P14061 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3676253 0.86 PKM (0.46) ACE2EPHX2PKMNR1H4LMNA
SCHEMBL3671847 0.86 ACE2 (0.45) ACE2EPHX2PKMACHEMLYCD
SCHEMBL3742558 0.83 S1PR1 (0.40) ACE2EPHX2NR1H4RXRARXRB
SCHEMBL3668232 0.83 ACE2 (0.43) ACE2EPHX2PKMALDH1A1ACHE
SCHEMBL3673214 0.82 EPHX2 (0.39) ACE2EPHX2NR1H4RXRARXRB
SCHEMBL3675015 0.81 S1PR1 (0.39) EPHX2NR1H4MLYCDHTTSMN1; SMN2
SCHEMBL7640361 0.80 SMN1; SMN2 (0.50) NR1H4ALDH1A1LMNACES2CES1
SCHEMBL3677422 0.79 ACE2 (0.40) ACE2EPHX2PKMACHEMLYCD
SCHEMBL3671501 0.79 ACE2 (0.40) ACE2EPHX2PKMACHEMLYCD
SCHEMBL3676655 0.79 ALDH1A1 (0.43) ACE2PKMKDM4EALDH1A1GAA

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