SCHEMBL1865302

SCHEMBL1865302

COc1ccc2c(=O)cc(OC(=O)O)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.66
ALDH1A1 P00352 7/20 0.66
TNKS O95271 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA3 P07451 1/20 0.58
CA4 P22748 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
CYP19A1 P11511 1/20 0.58
MAOB P27338 3/20 0.57
HPGD P15428 3/20 0.56
CYP3A4 P08684 3/20 0.56
MAPT P10636 3/20 0.56
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 2/20 0.56

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
SCHEMBL1500139 0.85 MAOB (0.67) KDM4EALDH1A1TNKSCYP19A1MAOB
SCHEMBL10962225 0.81 SLC16A3 (0.58) KDM4EALDH1A1CA12CA1CA2
SCHEMBL7455688 0.81 AKR1B1 (0.60) KDM4EALDH1A1TNKSCA12CA1
SCHEMBL3837934 0.79 KDM4E (1.00) KDM4EALDH1A1TNKSCA12CA1
SCHEMBL6240383 0.78 KDM4E (0.58) KDM4EALDH1A1CA12CA1CA2
SCHEMBL1864108 0.77 KDM4E (0.58) KDM4EALDH1A1TNKSCA12CA1
SCHEMBL11510798 0.77 PPARG (0.65) KDM4EALDH1A1TNKSCYP19A1MAOB
SCHEMBL8827792 0.77 KDM4E (0.78) KDM4EALDH1A1TNKSCA12CA1
SCHEMBL8107875 0.75 KDM4E (1.00) KDM4EALDH1A1TNKSCA12CA1
SCHEMBL9976083 0.75 MAOB (0.67) KDM4EALDH1A1TNKSCYP19A1MAOB

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