SCHEMBL7641964

SCHEMBL7641964

CC(C)OC(=O)C(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 2/20 0.46
KLK7 P49862 6/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
CNR2 P34972 2/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL7634039 0.86 TSHR (0.46) KMT2AMEN1TSHRALDH1A1NPC1
SCHEMBL8737269 0.84 FNTA (0.52) TSHRPOLB
SCHEMBL7643109 0.84 TSHR (0.47) KMT2ATSHRALDH1A1NPC1RAB9A
SCHEMBL7636054 0.84 HPGD (0.47) KMT2AMEN1TSHRALDH1A1L3MBTL1
SCHEMBL7061786 0.83 PLAAT3 (0.53) KMT2AMEN1
SCHEMBL7640142 0.83 LMNA (0.48) KMT2ATSHRKLK7ALDH1A1POLB
SCHEMBL7635254 0.83 LMNA (0.48) KMT2AMEN1TSHRALDH1A1L3MBTL1
SCHEMBL7642338 0.82 TSHR (0.68) TSHRALDH1A1L3MBTL1POLBCNR2
SCHEMBL7640751 0.82 TSHR (0.50) KMT2ATSHR
SCHEMBL7639014 0.81 HTT (0.53) KLK7ALDH1A1L3MBTL1NPC1RAB9A

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