SCHEMBL3674923

SCHEMBL3674923

CC(C)(O)C(=O)c1ccc(C(O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
ELANE P08246 1/20 0.42
LMNA P02545 3/20 0.40
CES1 P23141 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CES2 O00748 1/20 0.40
SRC P12931 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FASN P49327 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RXRA P19793 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
SCHEMBL480335 0.93 ELANE (0.47) SRD5A2ELANECES1CA12CA1
SCHEMBL4420966 0.87 CA1 (0.44) SRD5A2ELANELMNACA1CA2
SCHEMBL4428618 0.82 SRD5A2 (0.36) SRD5A2ELANECES1CA1CA2
SCHEMBL1409972 0.82 CYP2C9 (0.49) LMNACES1SRCMAPK1KDM4E
SCHEMBL3975579 0.81 FFAR1 (0.47) LMNASMN1; SMN2
SCHEMBL3678671 0.81 SRC (0.44) SRD5A2CES1SRCHDAC1HDAC8
SCHEMBL3675460 0.81 OPRD1 (0.42) LMNASRCHDAC1HDAC8HDAC6
SCHEMBL3671849 0.81 CA2 (0.37) ELANECES1CA2CES2SRC
SCHEMBL21310 0.80 CES1 (0.56) LMNACES1CA12CA1CA2
SCHEMBL9105008 0.80 CES1 (0.56) LMNACES1CA12CA1CA2

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