SCHEMBL7060334

SCHEMBL7060334

COc1ccc(CCC(=O)C(=O)OCc2ccccc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
APP P05067 1/20 0.57
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
REN P00797 1/20 0.53
CTSD P07339 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
ALOX5 P09917 2/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL20023024 0.90 APP (0.49) KMT2AAPPPLAAT3PLAAT5PLAAT2
SCHEMBL8894595 0.86 KMT2A (0.56) KMT2AAPPALDH1A1MTNR1AMTNR1B
SCHEMBL7059352 0.85 KMT2A (0.54) KMT2AAPPPLAAT3PLAAT5PLAAT2
SCHEMBL7059347 0.85 KMT2A (0.54) KMT2AAPPPLAAT3PLAAT5PLAAT2
SCHEMBL7059152 0.83 LMNA (0.55) KMT2AAPPKDM4E
SCHEMBL7059127 0.82 PLAAT3 (0.61) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7061461 0.82 KMT2A (0.57) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7060700 0.81 TDP1 (0.56) KMT2APLAAT5PLAAT4ALDH1A1HDAC1
SCHEMBL7061701 0.81 ABCB1 (0.50) KMT2AALDH1A1MTNR1AMTNR1BL3MBTL1
SCHEMBL7058700 0.81 MTNR1A (0.52) KMT2AMTNR1AMTNR1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
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