SCHEMBL3672078

SCHEMBL3672078

CC(C)(O)C(=O)c1ccc(CN(CCO)CCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 2/20 0.40
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3671007 0.86 SIGMAR1 (0.44) ACHESMN1; SMN2
SCHEMBL14700261 0.82 ALDH1A1 (0.47) ACHEHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3676681 0.80 RXRA (0.36) ACHEALDH1A1HDAC6CYP2D6CYP2C19
SCHEMBL3674783 0.80 LSS (0.48) ALDH1A1SMN1; SMN2MAPTHDAC6HDAC1
SCHEMBL14700278 0.79 MEN1 (0.48) ACHEHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL24885671 0.78 ACHE (0.45) ACHEHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL19370716 0.78 ALDH1A1 (0.43) ACHEHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5636987 0.78 MEP1B (0.57) ACHEHTTALDH1A1HDAC8HDAC6
SCHEMBL154857 0.78 CYP4A11 (0.50) TSHR
SCHEMBL480503 0.77 EPHX2 (0.49) ALDH1A1SMN1; SMN2HPGDHDAC6HDAC1

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