SCHEMBL1864115

SCHEMBL1864115

CCCCCc1c(C(=O)O)oc2cc(OC)ccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 7/20 0.60
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL5322782 0.87 KDM4E (0.63) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL11325086 0.83 KDM4E (0.61) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL3839733 0.80 MCL1 (0.53) MEN1KMT2ATSHRMAPK1
SCHEMBL10470445 0.80 KDM4E (0.51) ALDH1A1KDM4ECA12CA2CA3
SCHEMBL566348 0.80 KDM4E (0.68) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL5272919 0.77 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6446595 0.76 MCL1 (0.54) MEN1KMT2ANPC1TSHRMAPK1
SCHEMBL4274077 0.76 KDM4E (0.66) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL4762078 0.76 KDM4E (1.00) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL10471158 0.75 PTAFR (0.58) ALDH1A1KDM4ECA12CA1CA2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665717-B1 7-ACYLOXY-CHROMEN-4-ONE DERIVATIVES AND THEIR USE AS SELF-TANNING SUBSTANCES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
EP-1508327-B1 Use of 5,7-dihydroxy-2-methylchromen-4-on for the care of the skin MERCK PATENT GMBH (DE) 2014-05-07 EP disclosed
EP-2665717-A1 7-ACYLOXY-CHROMEN-4-ONE DERIVATIVES AND USE THEREOF AS SELF-TANNING SUBSTANCES Merck Patent GmbH (DE) 2013-11-27 EP disclosed
WO-2012097857-A1 7-ACYLOXY-CHROMEN-4-ONE DERIVATIVES AND USE THEREOF AS SELF-TANNING SUBSTANCES MERCK PATENT GMBH (DE) 2012-07-26 WO disclosed
EP-1979337-B1 CHROMEN-4-ONE DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2011-05-25 EP disclosed
EP-1890672-B1 USE OF CHROMONE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-02 EP disclosed
EP-1979337-A1 CHROMEN-4-ONE DERIVATIVES AS A SELF-TANNING SUBSTANCE Merck Patent GmbH (DE) 2008-10-15 EP disclosed
EP-1890672-A1 USE OF CHROMONE DERIVATIVES Merck Patent GmbH (DE) 2008-02-27 EP disclosed
EP-1856084-A1 CHROMEN-4-ONE DERIVATIVES Merck Patent GmbH (DE) 2007-11-21 EP disclosed
WO-2007087956-A1 CHROMEN-4-ONE DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2007-08-09 WO disclosed
EP-1732913-A1 CHROMONE COMPLEXES MERCK PATENT GmbH (DE) 2006-12-20 EP disclosed
WO-2006128562-A1 USE OF CHROMONE DERIVATIVES MERCK PATENT GMBH (DE) 2006-12-07 WO disclosed
WO-2006094601-A1 CHROMEN-4-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2006-09-14 WO disclosed
EP-1656364-A1 CHROMEN-4-ONE DERIVATIVES MERCK PATENT GmbH (DE) 2006-05-17 EP disclosed
WO-2005097772-A1 CHROMONE COMPLEXES MERCK PATENT GMBH (DE) 2005-10-20 WO disclosed
WO-2005019197-A1 CHROMEN-4-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-03 WO disclosed
EP-1508327-A1 Use of chromen-4-one derivatives for the care of skin and hair MERCK PATENT GmbH (DE) 2005-02-23 EP disclosed