SCHEMBL692615

SCHEMBL692615

CC1=C(c2ccc(O)c(C(=O)O)c2)C(=O)N=N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.55
ACMSD Q8TDX5 6/20 0.50
DHFR P00374 1/20 0.50
HNF4A P41235 1/20 0.50
CSNK2A1 P68400 1/20 0.49
LCK P06239 2/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
IL1B P01584 1/20 0.43
MEN1 O00255 1/20 0.43
APP P05067 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL695537 0.76 RXRA (0.46) ALOX5
SCHEMBL2771723 0.74 ACMSD (0.83) MCL1ACMSDDHFRHNF4ACSNK2A1
SCHEMBL29904854 0.74 ACMSD (0.83) MCL1ACMSDDHFRHNF4ACSNK2A1
SCHEMBL22206257 0.72 ACMSD (0.80) MCL1ACMSDDHFRHNF4ALCK
Methane SCHEMBL28165586 0.72 ACMSD (0.80) MCL1ACMSDDHFRHNF4ALCK
SCHEMBL18224311 0.72 ACMSD (0.88) MCL1ACMSDDHFRHNF4ALCK
SCHEMBL29374831 0.72 ACMSD (0.88) MCL1ACMSDDHFRHNF4ALCK
SCHEMBL4967083 0.72 MCL1 (1.00) MCL1ACMSDDHFRHNF4ACSNK2A1
SCHEMBL11691795 0.70 MCL1 (0.73) MCL1ACMSDDHFRHNF4ACSNK2A1
SCHEMBL18231986 0.70 MCL1 (0.73) MCL1ACMSDDHFRHNF4ACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed