SCHEMBL27489482

SCHEMBL27489482

CCCCCCCCCc1cc(Br)ccc1O.CCCCCCCCCc1cccc(Br)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
PTGS2 P35354 1/20 0.50
TYR P14679 2/20 0.49
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL8398437 0.87 ALOX5 (0.63) ALOX5PTGS2TYRBIDMCL1
SCHEMBL574313 0.87 ALOX5 (0.63) ALOX5PTGS2TYRBIDMCL1
SCHEMBL8401876 0.87 TYR (0.54) ALOX5TYRBIDMCL1BCL2L1
SCHEMBL574556 0.87 TYR (0.54) ALOX5TYRBIDMCL1BCL2L1
SCHEMBL16051902 0.85 ALOX5 (0.65) ALOX5PTGS2TYRBIDMCL1
SCHEMBL573232 0.85 TYR (0.51) ALOX5TYRBIDMCL1BCL2L1
SCHEMBL11164405 0.81 ALOX5 (0.57) ALOX5PTGS2TYRBIDMCL1
SCHEMBL573894 0.81 TYR (0.52) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL10926251 0.75 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1
SCHEMBL11618297 0.75 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1

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-1124922-A Use of natural products and related synthetic compounds for the treatment of cardiovascular diseases UNIV SYDNEY (AU) 1996-06-19 CN disclosed