SCHEMBL8525475

SCHEMBL8525475

[CH2]Oc1ccccc1CCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.59
THRB P10828 1/20 0.59
LIPG Q9Y5X9 1/20 0.53
ALOX5 P09917 1/20 0.51
PTGS2 P35354 1/20 0.51
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.47
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 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
SCHEMBL8489424 1.00 THRA (0.59) THRATHRBLIPGALOX5PTGS2
SCHEMBL8490567 1.00 THRA (0.59) THRATHRBLIPGALOX5PTGS2
SCHEMBL3226319 0.86 THRA (0.56) THRATHRBLIPGALOX5PTGS2
SCHEMBL3215293 0.86 THRA (0.56) THRATHRBLIPGALOX5PTGS2
Ethylene SCHEMBL2895477 0.85 THRA (0.59) THRATHRBLIPGALOX5PTGS2
Ethylene SCHEMBL2174988 0.85 THRA (0.59) THRATHRBLIPGALOX5PTGS2
Ethylene SCHEMBL4621010 0.85 THRA (0.59) THRATHRBLIPGALOX5PTGS2
Ethylene SCHEMBL1896180 0.85 THRA (0.59) THRATHRBLIPGALOX5PTGS2
SCHEMBL9505410 0.85 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL941553 0.85 THRA (0.58) THRATHRBLIPGALOX5PTGS2

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
WO-1999014204-A1 SUBSTITUTED 1,2,4-TRIAZOLES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-03-25 WO disclosed