SCHEMBL1860716

SCHEMBL1860716

CCCCCc1c(OC(=O)O)oc2ccccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
CYP2C9 P11712 7/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3839733 0.81 MCL1 (0.53)
SCHEMBL18227970 0.78 KDM4E (0.47) CYP2C9KDM4EHPGDALDH1A1
Acetic Acid SCHEMBL27918017 0.78 KDM4E (0.51) KDM4EALDH1A1LMNAHTT
SCHEMBL1090508 0.77 CYP2C9 (0.44) MAOBCYP2C9KDM4EHPGDALDH1A1
SCHEMBL6446595 0.76 MCL1 (0.54)
SCHEMBL18222929 0.76 CYP2C9 (0.47) CYP2C9KDM4EHPGDALDH1A1
SCHEMBL10800028 0.76 ABCG2 (0.54) KDM4EHPGDALDH1A1LMNAHTT
SCHEMBL10800587 0.75 ABCG2 (0.52) KDM4EALDH1A1LMNAHTT
SCHEMBL18210532 0.74 KDM4E (0.47) MAOBCYP2C9KDM4EHPGDLMNA
SCHEMBL26661269 0.74 FAAH (0.48) CYP2C9KDM4EHPGDALDH1A1LMNA

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 7 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-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-1890672-A1 USE OF CHROMONE DERIVATIVES Merck Patent GmbH (DE) 2008-02-27 EP disclosed
WO-2006128562-A1 USE OF CHROMONE DERIVATIVES MERCK PATENT GMBH (DE) 2006-12-07 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