SCHEMBL28306347

SCHEMBL28306347

CCCCCc1cccc(F)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
ALOX5 P09917 2/20 0.44
PTGS2 P35354 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
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
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 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
SAE1 Q9UBE0 1/20 0.41
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL28321854 0.86 GABRA1 (0.56) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL31075131 0.84 LIPG (0.55) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL7781643 0.81 LIPG (0.47) LIPGALOX5PTGS2BIDMCL1
SCHEMBL14402410 0.80 TAAR1 (0.56) LIPGALOX5PTGS2BIDMCL1
SCHEMBL27574850 0.79 LIPG (0.50) LIPGALOX5PTGS2GABRA1GABRB2
SCHEMBL10336047 0.79 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL17980278 0.79 CA2 (0.39) GABRA1GABRB2
SCHEMBL4286994 0.79 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL21605358 0.79 LIPG (0.46) LIPGALOX5PTGS2BIDMCL1
SCHEMBL8746425 0.79 LIPG (0.50) LIPGALOX5PTGS2BIDMCL1

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-109943346-A Compound, liquid crystal media, liquid crystal display device and electronic equipment 曹亚宁 2019-06-28 CN disclosed