SCHEMBL7640337

SCHEMBL7640337

CCOC(=O)C(=O)CCCCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
ALOX5 P09917 4/20 0.54
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
FAAH O00519 5/20 0.50
CES1 P23141 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
KDM4A O75164 1/20 0.49
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
PHF8 Q9UPP1 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49

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
SCHEMBL8816730 1.00 MAPT (0.57) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL8814990 1.00 MAPT (0.57) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7642664 1.00 MAPT (0.57) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7635946 0.98 ALOX5 (0.55) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL1858472 0.94 ALOX5 (0.56) ALOX5HDAC1HDAC2PLAAT3PLAAT5
SCHEMBL304796 0.87 L3MBTL1 (0.55) MAPTALOX5HDAC1HDAC2PLAAT3
SCHEMBL17980471 0.86 ALOX5 (0.56) MAPTRXFP1ALOX5PLAAT3PLAAT5
SCHEMBL7642747 0.86 MAPT (0.64) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7641769 0.86 MAPT (0.64) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL5822589 0.85 SMN1; SMN2 (0.51) MAPTRXFP1ALOX5FAAHSMN1; SMN2

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