SCHEMBL3671963

SCHEMBL3671963

CCCCNCc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
S1PR1 P21453 12/20 0.49
S1PR3 Q99500 12/20 0.49
S1PR2 O95136 10/20 0.49
LPAR2 Q9HBW0 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
S1PR4 O95977 5/20 0.45
S1PR5 Q9H228 1/20 0.45
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL3673599 0.94 HRH4 (0.55) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL3673106 0.94 HRH4 (0.55) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL3671659 0.84 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP2C19HDAC3HDAC8
SCHEMBL18828911 0.81 S1PR1 (0.57) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL18636787 0.80 HDAC3 (0.46) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL195630 0.79 RARB (0.57)
SCHEMBL15270260 0.78 S1PR1 (0.57) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL3669489 0.77 EPHX2 (0.45) CA2CYP1A2CYP2C19HDAC3HDAC8
Hydrochloric Acid SCHEMBL16506887 0.77 S1PR1 (0.56) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL10713905 0.76 THRA (0.59)

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