SCHEMBL7061434

SCHEMBL7061434

COc1ccc(CCC(=O)C(=O)OC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
F2RL1 P55085 1/20 0.57
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
FFAR1 O14842 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
ALOX5 P09917 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL7643130 0.91 ALOX5 (0.56) ALDH1A1F2RL1PLAAT3PLAAT5PLAAT2
SCHEMBL7639014 0.84 HTT (0.53) ALDH1A1TDP1L3MBTL1POLBNPC1
SCHEMBL7525162 0.84 ALDH1A1 (0.64) ALDH1A1F2RL1LMNATDP1L3MBTL1
SCHEMBL7060208 0.83 F2RL1 (0.69) ALDH1A1F2RL1PLAAT3PLAAT5PLAAT2
SCHEMBL7060219 0.83 PLAAT3 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL7061786 0.83 PLAAT3 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7061322 0.82 ALDH1A1 (0.52) ALDH1A1F2RL1LMNATDP1L3MBTL1
SCHEMBL7058635 0.82 TSHR (0.54) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7060420 0.81 KMT2A (0.53) ALDH1A1ALOX5LDHA
SCHEMBL7060212 0.79 F2RL1 (0.58) ALDH1A1F2RL1PLAAT3PLAAT5PLAAT2

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