SCHEMBL27406367

SCHEMBL27406367

CCCCCCCCCCc1ccc(C(N)=O)c(CCCCCCCCCC)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.46
BID P55957 3/20 0.46
MCL1 Q07820 3/20 0.46
BCL2L1 Q07817 2/20 0.46
BAK1 Q16611 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
PPARG P37231 2/20 0.46
SAE1 Q9UBE0 2/20 0.46
EP300 Q09472 1/20 0.46
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT5 Q92993 1/20 0.46
TYR P14679 2/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL11221193 1.00 PPARA (0.46) PPARABIDMCL1BCL2L1BAK1
SCHEMBL1052810 1.00 PPARA (0.46) PPARABIDMCL1BCL2L1BAK1
SCHEMBL793234 1.00 PPARA (0.46) PPARABIDMCL1BCL2L1BAK1
SCHEMBL6675902 0.98 BID (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL3639099 0.91 BID (0.54) PPARABIDMCL1BCL2L1BAK1
SCHEMBL27666821 0.90 PPARA (0.48) PPARABIDMCL1BCL2L1BAK1
SCHEMBL1217617 0.88 TYR (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL14054854 0.88 TYR (0.43) PPARABIDMCL1BCL2L1BAK1
SCHEMBL1083196 0.86 HRH1 (0.32) PPARABIDMCL1BCL2L1BAK1
SCHEMBL1049187 0.85 MEN1 (0.50) PPARAKAT8PPARGMAPTMEN1

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-1088199-A The aniline that N-replaces HOFFMANN LA ROCHE (CH) 1994-06-22 CN disclosed