SCHEMBL6258626

SCHEMBL6258626

CCCCC(Oc1ccccc1C#N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
PPARA Q07869 3/20 0.44
TSHR P16473 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CTRC Q99895 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
UBLCP1 Q8WVY7 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8935651 0.86 SMN1; SMN2 (0.48) PPARGSMN1; SMN2MAPK1PPARATSHR
SCHEMBL8935647 0.86 SMN1; SMN2 (0.48) PPARGSMN1; SMN2MAPK1PPARATSHR
SCHEMBL6539780 0.84 CTRC (0.46) PPARGPTGESALOX5PPARACTRC
SCHEMBL4653966 0.83 ALDH1A1 (0.43) PPARGPTGESALOX5L3MBTL1PPARA
SCHEMBL10968578 0.83 L3MBTL1 (0.42) PPARGL3MBTL1SMN1; SMN2MAPK1TSHR
SCHEMBL8406991 0.83 L3MBTL1 (0.42) PPARGL3MBTL1SMN1; SMN2MAPK1TSHR
SCHEMBL8406995 0.83 SMN1; SMN2 (0.42) PPARGL3MBTL1SMN1; SMN2MAPK1TSHR
SCHEMBL28032170 0.80 PPARA (0.53) PPARGPTGESALOX5PPARACTRC
SCHEMBL30639267 0.80 CTRC (0.54) PPARGPTGESALOX5PPARACTRC
SCHEMBL6539317 0.79 PPARG (0.54) PPARGPTGESALOX5PPARACTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1579276-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2005-09-28 EP disclosed
WO-2004097530-A1 STRUCTURE AND METHOD FOR PRODUCING STRUCTURE, TONER CONTAINING STRUCTURE, IMAGE FORMING METHOD AND DEVICE USING TONER CANON KABUSHIKI KAISHA (JP) 2004-11-11 WO disclosed
WO-2004097417-A1 STRUCTURED CONSTRUCT AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2004-11-11 WO disclosed
WO-2004061529-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2004-07-22 WO disclosed
WO-2004041905-A1 NEW POLYHYDROXYALKANOATE COPOLYMER, RESIN COMPOSITION, MOLDED PRODUCT, TONER, IMAGE FORMING METHOD AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2004-05-21 WO disclosed
WO-2004037889-A1 POLYHYDROXYALKANOATE, PROCESS FOR PREPARING THE SAME, AND RESIN COMPOSITION CONTAINING THE POLYHYDROXYALKANOATE CANON KABUSHIKI KAISHA (JP) 2004-05-06 WO disclosed