SCHEMBL7055592

SCHEMBL7055592

CC(C)COC(=O)C(/C=N\O)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSL P07711 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7058581 0.86 SMN1; SMN2 (0.49) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7061687 0.85 TSHR (0.45) ALDH1A1TSHRSMN1; SMN2MEN1HTT
SCHEMBL7058744 0.85 HCAR2 (0.48) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7060200 0.85 GAA (0.49) ALDH1A1TSHRSMN1; SMN2MEN1HTT
SCHEMBL7061544 0.85 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1CTSLPPARG
SCHEMBL7057056 0.84 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP3A4
SCHEMBL7061770 0.83 PRSS1 (0.38) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL7061409 0.82 MAPT (0.43) ALDH1A1TSHRSMN1; SMN2MEN1HTT
SCHEMBL7062410 0.82 CTSK (0.48) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL7061339 0.81 CTSK (0.44) TSHRSMN1; SMN2

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