SCHEMBL11118069

SCHEMBL11118069

CCCCCCc1ccccc1OP(Oc1cccc(CC)c1CC)Oc1cccc(CC)c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
PPARA Q07869 3/20 0.47
PTGS2 P35354 4/20 0.46
ALOX5 P09917 1/20 0.46
PPARG P37231 2/20 0.45
LIPG Q9Y5X9 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 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
SCHEMBL2350501 0.88 THRA (0.51) THRATHRBPPARAPTGS2ALOX5
SCHEMBL11173065 0.88 THRA (0.51) THRATHRBPPARAPTGS2ALOX5
SCHEMBL8389050 0.88 THRA (0.51) THRATHRBPPARAPTGS2ALOX5
SCHEMBL30149837 0.88 THRA (0.51) THRATHRBPPARAPTGS2ALOX5
SCHEMBL8379300 0.88 THRA (0.51) THRATHRBPPARAPTGS2ALOX5
SCHEMBL6849772 0.88 THRA (0.59) THRATHRBPPARAPTGS2ALOX5
SCHEMBL1100557 0.88 THRA (0.59) THRATHRBPPARAPTGS2ALOX5
SCHEMBL8393505 0.88 THRA (0.59) THRATHRBPPARAPTGS2ALOX5
SCHEMBL4004612 0.88 THRA (0.59) THRATHRBPPARAPTGS2ALOX5
SCHEMBL11674754 0.88 THRA (0.59) THRATHRBPPARAPTGS2ALOX5

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-4469644-A CATALYTIC OXIDATION OF CORRESPONDING PHOISPHITE BORG-WARNER CHEMICALS, INC. (US) 1984-09-04 US disclosed