SCHEMBL3676447

SCHEMBL3676447

Cc1cc(C(=O)C(C)(C)O)ccc1COCc1ccc(C(=O)C2(O)CCCCC2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
KDM2B Q8NHM5 2/20 0.32
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3677668 0.96 S1PR1 (0.31) S1PR1S1PR3KDM2BCYP2D6SLC6A2
SCHEMBL3674292 0.91 CYP2D6 (0.32) KDM2BCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3672849 0.91 KDM2B (0.36) S1PR1S1PR3KDM2B
SCHEMBL3671585 0.86 MRGPRX4 (0.34) S1PR1S1PR3KDM2B
SCHEMBL3742558 0.84 S1PR1 (0.40) S1PR1S1PR3EPHX2
SCHEMBL3669312 0.80 MRGPRX4 (0.37) KDM2BCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3672416 0.79 MRGPRX4 (0.38) S1PR1S1PR3EPHX2
SCHEMBL3675015 0.79 S1PR1 (0.39) S1PR1S1PR3EPHX2
SCHEMBL3672637 0.78 KDM2B (0.35) KDM2BEPHX2CYP2D6SLC6A2SLC6A4
SCHEMBL3674836 0.73 MRGPRX4 (0.41) S1PR1S1PR3EPHX2

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