SCHEMBL27439147

SCHEMBL27439147

O=C(O)C(CCCCc1ccccc1)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
EPHX2 P34913 1/20 0.58
FFAR1 O14842 5/20 0.57
FFAR4 Q5NUL3 1/20 0.57
MMP12 P39900 1/20 0.56
MMP2 P08253 1/20 0.56
MMP3 P08254 1/20 0.56
MGLL Q99685 2/20 0.53
ALOX5 P09917 1/20 0.53
BCHE P06276 2/20 0.52
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51

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
SCHEMBL27439146 1.00 LTA4H (0.58) LTA4HEPHX2FFAR1FFAR4MMP12
SCHEMBL1856449 0.96 LTA4H (0.60) LTA4HEPHX2FFAR1FFAR4MMP12
SCHEMBL22367637 0.90 MMP2 (0.63) LTA4HEPHX2FFAR1FFAR4MMP12
SCHEMBL29779565 0.90 MMP2 (0.63) LTA4HEPHX2FFAR1FFAR4MMP12
SCHEMBL1859995 0.89 LTA4H (0.52) LTA4HEPHX2FFAR1FFAR4MMP12
SCHEMBL6716210 0.86 FFAR1 (0.61) LTA4HEPHX2FFAR1FFAR4MMP12
SCHEMBL28860722 0.86 FFAR1 (0.64) LTA4HEPHX2FFAR1FFAR4MMP12
SCHEMBL28224291 0.86 FFAR1 (0.64) LTA4HEPHX2FFAR1FFAR4MMP12
SCHEMBL1862995 0.85 GRIK1 (0.61) MMP2MMP3
SCHEMBL1856424 0.84 GPR132 (0.54) LTA4HEPHX2MMP12MMP2MMP3

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-1053607-A The human immunity that is used for the treatment of AIDS lacks the inhibitor of virus protease MERCK & CO INC (US) 1991-08-07 CN disclosed