SCHEMBL4654985

SCHEMBL4654985

COC(=O)CC(O)CCOc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
FAAH O00519 3/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.42
LTA4H P09960 2/20 0.42
FFAR1 O14842 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 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
SCHEMBL14593406 0.85 EPHX2 (0.46) MAPTALDH1A1HTTFAAHKDM4E
SCHEMBL4655066 0.85 RAB9A (0.50) MAPTALDH1A1SMN1; SMN2LTA4HMAPK1
SCHEMBL4403318 0.83 MMP12 (0.47) HTTKDM4ESMN1; SMN2LTA4HFFAR1
SCHEMBL4654958 0.79 MAPT (0.47) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL4995417 0.78 NPC1 (0.46) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL21991820 0.78 LTA4H (0.55) MAPTALDH1A1HTTFAAHKDM4E
SCHEMBL4654986 0.78 TDP1 (0.52) MAPTALDH1A1SMN1; SMN2LTA4H
SCHEMBL4656181 0.77 TDP1 (0.48) MAPTALDH1A1MMP1MMP3
SCHEMBL5178522 0.77 NPC1 (0.49) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL6329715 0.76 LTA4H (0.54) MAPTALDH1A1HTTFAAHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113033-B1 Polyhydroxyalkanoate CANON KK (JP) 2008-11-26 EP disclosed
US-7169598-B2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-20040067576-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2004-04-08 US disclosed
US-6649381-B1 Biosynthesis of high purity polylactones CANON KABUSHIKI KAISHA (JP) 2003-11-18 US disclosed
US-20030208029-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2003-11-06 US disclosed
US-6586562-B2 Polylactone with units such as of 3-hydroxy-5-(4-fluorophenyl)valeric acid; biosynthesis of the polylactone by microorganism; Pseudomonas cichorii; P. putida; P. jessenii CANON KABUSHIKI KAISHA (JP) 2003-07-01 US disclosed
US-20020022253-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2002-02-21 US disclosed
EP-1113033-A2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2001-07-04 EP disclosed