SCHEMBL7635523

SCHEMBL7635523

CC(C)OC(=O)C(=O)CCCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.52
PLAAT5 Q96KN8 2/20 0.52
PLAAT2 Q9NWW9 2/20 0.52
PLAAT4 Q9UL19 2/20 0.52
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC2A1 P11166 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
PNMT P11086 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
NAAA Q02083 1/20 0.43

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
SCHEMBL7058669 0.93 PLAAT3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL7640209 0.87 CTBP2 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL7640205 0.87 CTBP2 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL7634196 0.84 PLAAT3 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL7644571 0.84 HPGD (0.49) HPGDALOX15ALDH1A1MAPTSMN1; SMN2
SCHEMBL7641654 0.84 HDAC1 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL7640089 0.82 HDAC1 (0.55) CHRM2CHRM1CHRM3TAAR1
SCHEMBL7643117 0.82 PLAAT3 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7058661 0.81 CTBP2 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL7058659 0.81 CTBP2 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4HPGD

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