SCHEMBL7763369

SCHEMBL7763369

CC(C)C[C@@H](C(=O)O)C(CCCc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
ALOX5 P09917 2/20 0.43
MMP12 P39900 1/20 0.43
BCHE P06276 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL7763366 1.00 LTA4H (0.48) LTA4HEPHX2LMNAL3MBTL1FFAR1
SCHEMBL6659520 0.90 MMP3 (0.45) LMNAMMP3PPARGPPARACTSK
SCHEMBL6987281 0.90 MMP3 (0.45) LMNAMMP3PPARGPPARACTSK
SCHEMBL6659518 0.90 MMP3 (0.45) LMNAMMP3PPARGPPARACTSK
SCHEMBL6943287 0.90 MMP3 (0.45) LMNAMMP3PPARGPPARACTSK
SCHEMBL6943292 0.90 MMP3 (0.45) LMNAMMP3PPARGPPARACTSK
SCHEMBL7762825 0.84 SMN1; SMN2 (0.43) LTA4HL3MBTL1MMP3CTSK
SCHEMBL7762821 0.84 SMN1; SMN2 (0.43) LTA4HL3MBTL1MMP3CTSK
SCHEMBL7762013 0.84 POLB (0.46) CTSK
SCHEMBL7762011 0.84 POLB (0.46) CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed