SCHEMBL4037431

SCHEMBL4037431

O=C(O)CCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
FFAR1 O14842 2/20 0.59
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
PTGFR P43088 1/20 0.52
RXRA P19793 2/20 0.52

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
SCHEMBL25172817 0.98 MAPT (0.62) HDAC1HDAC8MAPTRXFP1FFAR1
SCHEMBL23176837 0.98 MAPT (0.62) HDAC1HDAC8MAPTRXFP1FFAR1
SCHEMBL3810445 0.95 HDAC1 (0.55) HDAC1HDAC8MAPTRXFP1FFAR1
SCHEMBL1454387 0.95 FFAR1 (0.60) HDAC1HDAC8MAPTRXFP1FFAR1
Hydrochloric Acid SCHEMBL2763476 0.93 FFAR1 (0.59) HDAC1HDAC8MAPTRXFP1FFAR1
SCHEMBL117230 0.87 FFAR1 (0.73) HDAC1HDAC8FFAR1PPARAPDPK1
SCHEMBL1855826 0.86 PTGFR (0.51) HDAC1HDAC8MAPTRXFP1FFAR1
SCHEMBL25138775 0.86 HDAC1 (0.59) HDAC1HDAC8FFAR1HDAC3HDAC2
SCHEMBL7065645 0.84 MAPT (0.79) HDAC1HDAC8MAPTRXFP1FFAR1
SCHEMBL934424 0.84 HDAC1 (0.58) HDAC1HDAC8FFAR1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed
US-20040067576-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2004-04-08 US claimed
US-20030208029-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2003-11-06 US claimed
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 claimed
US-20020022253-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2002-02-21 US claimed
EP-1113033-A2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2001-07-04 EP claimed
CN-107530343-A Triazolylpyridine ketones compound as PDE2 inhibitor 默沙东公司 2018-01-02 CN disclosed
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
EP-1113033-B1 Polyhydroxyalkanoate CANON KK (JP) 2008-11-26 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO 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-7169598-B2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2007-01-30 US 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