SCHEMBL7634901

SCHEMBL7634901

COC(=O)C(CCC(OC)c1ccccc1)=NO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CTBP2 P56545 2/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC6A4 P31645 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7634897 1.00 KMT2A (0.39) KMT2ATSHRRECQLMTNR1AMTNR1B
SCHEMBL7639035 0.88 KMT2A (0.36) KMT2ATSHRMTNR1AMTNR1BHPGD
SCHEMBL7634116 0.88 TSHR (0.37) KMT2ATSHRRECQLCTBP2MEN1
SCHEMBL7635302 0.88 APOBEC3A (0.43) KMT2ATSHRALDH1A1MEN1
SCHEMBL7634120 0.88 TSHR (0.37) KMT2ATSHRRECQLCTBP2MEN1
SCHEMBL7635297 0.88 APOBEC3A (0.43) KMT2ATSHRALDH1A1MEN1
SCHEMBL7640939 0.87 MTNR1A (0.45) KMT2ATSHRMTNR1AMTNR1BHPGD
SCHEMBL7640941 0.87 MTNR1A (0.45) KMT2ATSHRMTNR1AMTNR1BHPGD
SCHEMBL7641329 0.86 AOC3 (0.41) KMT2ACTBP2MEN1
SCHEMBL7641748 0.85 ALDH1A1 (0.41) KMT2ATSHRRECQLCTBP2ALDH1A1

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