SCHEMBL3672849

SCHEMBL3672849

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.36
MAOB P27338 1/20 0.34
RXRA P19793 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 5/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PRKG1 Q13976 1/20 0.32
KDM4E B2RXH2 1/20 0.32
XBP1 P17861 1/20 0.32
ADAM17 P78536 1/20 0.32

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
SCHEMBL3671585 0.95 MRGPRX4 (0.34) KDM2BMAOBRXRAS1PR1S1PR3
SCHEMBL3676447 0.91 S1PR1 (0.33) KDM2BS1PR1S1PR3
SCHEMBL3669312 0.89 MRGPRX4 (0.37) KDM2BL3MBTL1ALDH1A1MMP1KDM4E
SCHEMBL3677668 0.87 S1PR1 (0.31) KDM2BS1PR1S1PR3
SCHEMBL3672637 0.86 KDM2B (0.35) KDM2BRXRAPOLBL3MBTL1ALDH1A1
SCHEMBL3671001 0.81 KDM4E (0.44) POLBALDH1A1KDM4EXBP1
SCHEMBL3674292 0.80 CYP2D6 (0.32) KDM2B
SCHEMBL3674362 0.78 KDM2B (0.34) KDM2BRXRAALDH1A1KDM4EXBP1
SCHEMBL3670675 0.77 PKM (0.41) KDM2BALDH1A1KDM4EXBP1
SCHEMBL28505006 0.72 RAB9A (0.41) L3MBTL1ALDH1A1

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