SCHEMBL7060890

SCHEMBL7060890

CC(=O)C(CCc1ccccc1)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MMP12 P39900 1/20 0.43
MMP8 P22894 1/20 0.42

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
SCHEMBL7059332 0.92 TSHR (0.54) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL7641717 0.91 TSHR (0.47) TSHRSMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL7642753 0.90 TSHR (0.46) TSHRKMT2AHPGDALDH1A1
SCHEMBL7637123 0.88 TSHR (0.45) TSHRKMT2AHPGDALDH1A1
SCHEMBL7644639 0.88 TSHR (0.45) TSHRKMT2AHPGDALDH1A1
SCHEMBL7057015 0.87 MAPT (0.47) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL7062396 0.85 NPSR1 (0.41) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL7062574 0.85 MEN1 (0.41) SMN1; SMN2KMT2AMEN1HTTALDH1A1
SCHEMBL17156302 0.84 TSHR (0.53) TSHRALDH1A1MMP8
SCHEMBL7061793 0.84 TSHR (0.49) TSHRSMN1; SMN2KMT2AMEN1HTT

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