SCHEMBL6258633

SCHEMBL6258633

CCCCC(C#N)(Oc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.40
PPARA Q07869 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TSHR P16473 1/20 0.38
PPARD Q03181 2/20 0.37
LTA4H P09960 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
HDAC3 O15379 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL10887797 0.78 ALOX15 (0.42) PPARGPPARAKMT2AMEN1
SCHEMBL5514895 0.78 PPARG (0.43) PPARGPPARAL3MBTL1KMT2ATDP1
SCHEMBL4550641 0.76 PPARA (0.54) PPARGPPARATSHRLTA4HHDAC3
SCHEMBL31426924 0.75 PPARG (0.42) PPARGPPARAL3MBTL1KMT2ATDP1
SCHEMBL27299981 0.74 LTA4H (0.41) ATMLTA4HMEN1
SCHEMBL1747602 0.74 PPARG (0.41) PPARGPPARAL3MBTL1KMT2ATDP1
SCHEMBL5508342 0.73 PPARA (0.46) PPARGPPARACES2CES1TSHR
SCHEMBL18140326 0.73 PPARG (0.40) PPARGPPARAL3MBTL1KMT2ATDP1
SCHEMBL4654238 0.73 PPARG (0.46) PPARGPPARACES2TSHRALDH1A1
SCHEMBL31339000 0.73 PPARG (0.48) PPARGPPARAL3MBTL1KMT2ATDP1

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