SCHEMBL3674783

SCHEMBL3674783

CN(C)Cc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HDAC3 O15379 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MCHR1 Q99705 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PYCR1 P32322 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
RIPK1 Q13546 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MLLT3 P42568 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
SCHEMBL12632249 0.87 LSS (0.49) LSSHRH3HDAC3HDAC6MCHR1
SCHEMBL4422777 0.84 RXRA (0.46) HDAC3HDAC6ALDH1A1PYCR1POLB
SCHEMBL3671007 0.82 SIGMAR1 (0.44) PYCR1SMN1; SMN2
SCHEMBL3687860 0.80 PLK1 (0.41) ALDH1A1HDAC1
SCHEMBL153898 0.80 KMT2A (0.56) HDAC6ALDH1A1HDAC1LMNA
SCHEMBL3672078 0.80 ACHE (0.44) HRH3HDAC3HDAC6ALDH1A1TSHR
SCHEMBL11298330 0.79 CA2 (0.46) ALDH1A1TSHRSMN1; SMN2HDAC1LMNA
SCHEMBL3671777 0.79 ALDH1A1 (0.46) ALDH1A1POLBMAPTGAA
SCHEMBL3971183 0.79 ALDH1A1 (0.57) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL480503 0.79 EPHX2 (0.49) HDAC6ALDH1A1TSHRSMN1; SMN2HDAC1

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