SCHEMBL4468026

SCHEMBL4468026

CCCCCCCCCCCCc1cccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
LIPG Q9Y5X9 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
TYR P14679 1/20 0.43
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL27503559 0.94 ALOX5 (0.43) ALOX5PTGS2LIPGNR1H2NR1H3
SCHEMBL7049119 0.89 ALOX5 (0.39) ALOX5PTGS2LIPGNR1H2NR1H3
SCHEMBL28364534 0.87 NR1H2 (0.54) LIPGNR1H2NR1H3KDM4ETLR8
SCHEMBL7577937 0.83 NPC1 (0.43) PTGS2LIPGKDM4EUSP2ALDH1A1
SCHEMBL710157 0.83 NPC1 (0.56) ALOX5PTGS2LIPGNR1H2NR1H3
SCHEMBL9628940 0.83 NPC1 (0.56) ALOX5PTGS2LIPGNR1H2NR1H3
SCHEMBL709920 0.83 NPC1 (0.56) ALOX5PTGS2LIPGNR1H2NR1H3
SCHEMBL10744136 0.83 NPC1 (0.56) ALOX5PTGS2LIPGNR1H2NR1H3
SCHEMBL38926 0.83 NPC1 (0.56) ALOX5PTGS2LIPGNR1H2NR1H3
SCHEMBL9628169 0.83 NPC1 (0.56) ALOX5PTGS2LIPGNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772399-B2 Flexible protective and lustrous spray gel dressing composition ASHLAND LICENSING AND INTELLECTUAL PROPERTY, LLC 2014-07-08 US disclosed
US-20090253862-A1 FLEXIBLE PROTECTIVE AND LUSTROUS SPRAY GEL DRESSING COMPOSITION ENERGIZER GROUP LIMITED (GB) 2009-10-08 US disclosed
CN-1615343-A Yellow cationic dyes for dying of organic material CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed