SCHEMBL11606142

SCHEMBL11606142

CCCCc1cccc(OO)c1OO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
PTGS2 P35354 1/20 0.50
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL243910 0.83 THRA (0.50) ALOX5PTGS2PPARAPPARGTHRA
SCHEMBL6304044 0.82 LIPG (0.43) ALOX5PTGS2PPARAPPARGLIPG
SCHEMBL9474531 0.81 GABRA1 (0.46) ALOX5PTGS2PPARA
SCHEMBL11214381 0.78 ALOX5 (0.46) ALOX5PTGS2PPARAPPARGTHRA
SCHEMBL11661770 0.78 ALOX5 (0.40) ALOX5PTGS2
SCHEMBL13570066 0.76 ALOX5 (0.60) ALOX5PTGS2PPARAELANECTSG
SCHEMBL29768288 0.76 THRA (0.59) ALOX5PTGS2PPARAPPARGTHRA
SCHEMBL15515421 0.76 THRA (0.59) ALOX5PTGS2PPARAPPARGTHRA
SCHEMBL27305174 0.76 THRA (0.59) ALOX5PTGS2PPARAPPARGTHRA
SCHEMBL16829571 0.75 ALOX5 (0.53) ALOX5PTGS2PPARAPPARGLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4081485-A Hydroquinone-ketone molecular compound and process for purifying hydroquinone using said molecular compound EGUCHI TSUKASA 1978-03-28 US disclosed