SCHEMBL7061409

SCHEMBL7061409

CCC(C)OC(=O)C(/C=N\O)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
CTSC P53634 1/20 0.38
CTSL P07711 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTSK P43235 3/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36

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
SCHEMBL7061687 0.88 TSHR (0.45) SMN1; SMN2TSHRKMT2AMEN1HTT
SCHEMBL16672557 0.84 MAPT (0.45) MAPTSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7058581 0.84 SMN1; SMN2 (0.49) MAPTSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7060200 0.82 GAA (0.49) MAPTSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7055592 0.82 ALDH1A1 (0.45) SMN1; SMN2TSHRKMT2AMEN1HTT
SCHEMBL7057056 0.82 ALDH1A1 (0.43) SMN1; SMN2TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL7642318 0.81 TSHR (0.43) TSHRKMT2AHPGDCYP2C9CYP2C19
SCHEMBL7058744 0.80 HCAR2 (0.48) MAPTSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7061544 0.80 ALDH1A1 (0.44) KMT2ACTSLALDH1A1MAPK1
SCHEMBL7640294 0.80 TSHR (0.42) TSHRKMT2AHPGDALDH1A1CYP2C9

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