SCHEMBL5481617

SCHEMBL5481617

CCCCCCCCCCCCCCCCCCc1ccccc1C[NH+](C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CYSLTR2 Q9NS75 8/20 0.42
CYSLTR1 Q9Y271 8/20 0.42
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
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 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
SAE1 Q9UBE0 1/20 0.40
THRA P10827 1/20 0.37
THRB P10828 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
SCHEMBL8371609 0.82 LIPG (0.50) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL8600329 0.82 LIPG (0.50) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL8597076 0.82 LIPG (0.50) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL8599309 0.82 LIPG (0.54) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
Benzene SCHEMBL8729420 0.79 LIPG (0.67) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
Octane SCHEMBL18395350 0.79 DNM1 (0.44) LIPGTHRB
SCHEMBL9697422 0.78 LIPG (0.43) LIPGBIDMCL1BCL2L1BAK1
Octane SCHEMBL23754774 0.77 DNM1 (0.42) LIPG
SCHEMBL10755599 0.77 LIPG (0.69) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL15809821 0.77 LIPG (0.69) LIPGNR1H2NR1H3CYSLTR2CYSLTR1

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-20070298346-A1 Toner particles of controlled morphology EASTMAN KODAK COMPANY 2007-12-27 US disclosed