SCHEMBL7643117

SCHEMBL7643117

CCOC(=O)C(=O)CCCc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.53
PLAAT5 Q96KN8 2/20 0.53
PLAAT2 Q9NWW9 2/20 0.53
PLAAT4 Q9UL19 2/20 0.53
KYAT1 Q16773 1/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
MAPT P10636 2/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
ALOX5 P09917 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44

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
SCHEMBL7059318 0.93 PLAAT3 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4KYAT1
SCHEMBL11208748 0.88 XPO1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4KYAT1
SCHEMBL19899012 0.87 ALOX5 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4CYP4F2
SCHEMBL7638310 0.87 KYAT1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4KYAT1
SCHEMBL7638311 0.87 KYAT1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4KYAT1
SCHEMBL7634196 0.85 PLAAT3 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL30716602 0.85 FFAR1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4KYAT1
SCHEMBL20897258 0.85 FFAR1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4KYAT1
SCHEMBL7634829 0.84 PLAAT3 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL11041861 0.84 PLAAT3 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4KYAT1

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
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed