SCHEMBL3673147

SCHEMBL3673147

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNA1 P02708 2/20 0.37
CHRNG P07510 2/20 0.37
CHRNB1 P11230 2/20 0.37
CHRNB2 P17787 2/20 0.37
SLC6A2 P23975 2/20 0.37
CHRNB4 P30926 2/20 0.37
SLC6A4 P31645 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRND Q07001 2/20 0.37
TAS1R3 Q7RTX0 6/20 0.33
TAS1R1 Q7RTX1 6/20 0.33
PDE2A O00408 1/20 0.33
CES2 O00748 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
SCHEMBL3669530 0.87 CHRNA1 (0.37) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL7640361 0.78 SMN1; SMN2 (0.50) MEN1KMT2ATDP1TAS1R3TAS1R1
SCHEMBL12250617 0.77 GRM1 (0.49) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL3738996 0.75 CES2 (0.35) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL2502807 0.75 CA1 (0.49) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL537689 0.73 PTPN5 (0.38) CES2CES1CA2
SCHEMBL10940962 0.72 TDP1 (0.41) TDP1HTTSMN1; SMN2CA2RXRA
SCHEMBL3677108 0.72 ELANE (0.33) TAS1R3TAS1R1CA2
SCHEMBL8436007 0.71 PDE2A (0.40) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL3669475 0.71 ACE2 (0.43) CES2CES1HTTSMN1; SMN2RXRA

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