SCHEMBL7057015

SCHEMBL7057015

CCC(C)OC(=O)C(CCc1ccccc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MMP12 P39900 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL2673427 0.91 MAPT (0.49) MAPTSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7060890 0.87 TSHR (0.50) SMN1; SMN2TSHRKMT2AMEN1HTT
SCHEMBL2427317 0.82 MMP8 (0.54) MAPTSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL11261128 0.82 MAPT (0.46) MAPTSMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL8965948 0.81 MAPT (0.48) MAPTSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL11268642 0.81 MAPT (0.45) MAPTSMN1; SMN2
SCHEMBL11261630 0.81 MAPT (0.45) MAPTSMN1; SMN2
SCHEMBL11261409 0.81 MAPT (0.45) MAPTSMN1; SMN2
SCHEMBL11263275 0.81 MAPT (0.45) MAPTSMN1; SMN2
SCHEMBL7061793 0.80 TSHR (0.49) MAPTSMN1; SMN2TSHRKMT2AMEN1

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