SCHEMBL29129795

SCHEMBL29129795

CCCCCCCCc1ccccc1OC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
PPARA Q07869 4/20 0.53
KMT2A Q03164 1/20 0.53
PPARG P37231 2/20 0.51
CYSLTR2 Q9NS75 6/20 0.48
CYSLTR1 Q9Y271 6/20 0.48
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 0.47
KAT8 Q9H7Z6 2/20 0.47
EP300 Q09472 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT5 Q92993 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
LIPG Q9Y5X9 1/20 0.46

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
SCHEMBL3966231 0.99 KMT2A (0.54) THRATHRBPPARAKMT2APPARG
SCHEMBL3041750 0.87 THRA (0.54) THRATHRBPPARAPPARGCYSLTR2
SCHEMBL11052071 0.83 KMT2A (0.64) KMT2A
SCHEMBL21989 0.82 THRA (0.54) THRATHRBPPARAPPARGCYSLTR2
SCHEMBL28552517 0.82 THRA (0.54) THRATHRBPPARAPPARGCYSLTR2
SCHEMBL382121 0.82 THRA (0.54) THRATHRBPPARAPPARGCYSLTR2
SCHEMBL28082766 0.82 THRA (0.49) THRATHRBPPARAPPARGCYSLTR2
SCHEMBL18139744 0.81 THRA (0.51) THRATHRBPPARAPPARGCYSLTR2
SCHEMBL18139600 0.81 THRA (0.51) THRATHRBPPARAPPARGCYSLTR2
SCHEMBL18139167 0.81 THRA (0.51) THRATHRBPPARAPPARGCYSLTR2

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
CN-117070748-A Method for recovering rare earth elements from rare earth molten salt slag 福建省长汀金龙稀土有限公司 2023-11-17 CN disclosed