SCHEMBL28686277

SCHEMBL28686277

CCCCc1cccc(F)c1Oc1c(F)cccc1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
TYR P14679 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
BCHE P06276 1/20 0.36
PPARA Q07869 2/20 0.36
TAAR1 Q96RJ0 3/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL5458212 0.84 ALOX5 (0.53) ALOX5PTGS2LIPGPPARABID
SCHEMBL27911407 0.83 ALOX5 (0.36) ALOX5PTGS2TYRLIPGBCHE
SCHEMBL12634440 0.80 SCN8A (0.39) ALOX5PTGS2TYRLIPGBCHE
SCHEMBL20534823 0.79 LIPG (0.42) ALOX5PTGS2TYRLIPGPPARA
SCHEMBL9419248 0.79 TYR (0.41) ALOX5PTGS2TYRLIPGPPARA
SCHEMBL14092079 0.78 TYR (0.37) ALOX5PTGS2TYRLIPGPPARA
SCHEMBL14092164 0.78 TYR (0.37) ALOX5PTGS2TYRLIPGPPARA
SCHEMBL13392154 0.78 LMNA (0.39) ALOX5PTGS2TYRLIPGBCHE
SCHEMBL1073302 0.78 TAAR1 (0.58) TYRLIPGTAAR1CYP3A4CYP2D6
SCHEMBL10976468 0.78 GABRA1 (0.37) ALOX5PTGS2

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-114026175-A Thermoplastic resin composition 帝人株式会社 2022-02-08 CN disclosed