SCHEMBL7634089

SCHEMBL7634089

CCOC(=O)C(=O)Cc1ccccc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
PLIN1 O60240 1/20 0.54
POLB P06746 1/20 0.54
PLIN5 Q00G26 1/20 0.54
ABHD5 Q8WTS1 1/20 0.54
TSHR P16473 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
TTR P02766 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL7637922 0.85 MEN1 (0.55) KMT2AMEN1MAPTLMNATSHR
SCHEMBL7060209 0.84 KMT2A (0.51) KMT2AMEN1MAPTLMNAPLIN1
SCHEMBL16672831 0.84 KMT2A (0.51) KMT2AMEN1MAPTLMNAPLIN1
SCHEMBL1792326 0.83 TSHR (0.55) KMT2AMEN1MAPTLMNATSHR
SCHEMBL7640053 0.83 L3MBTL1 (0.56) KMT2AMEN1POLBGAATTR
SCHEMBL4516202 0.83 HPGD (0.48) KMT2AMEN1MAPTLMNAPLIN1
SCHEMBL7637044 0.81 CTDSP1 (0.50) KMT2AMEN1MAPTLMNATSHR
SCHEMBL8735383 0.80 AKR1B1 (0.53) KMT2AMEN1MAPTTSHRGAA
SCHEMBL27678941 0.80 MEN1 (0.47) KMT2AMEN1MAPTLMNAPLIN1
SCHEMBL30040153 0.80 TAAR1 (0.55) KMT2AMEN1MAPTLMNATSHR

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