SCHEMBL7057252

SCHEMBL7057252

COc1ccc(CCC(/C=N\O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
ATM Q13315 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
ABCB1 P08183 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR1 O14842 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
ALOX5 P09917 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP3 P08254 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7638413 0.93 L3MBTL1 (0.46) ALDH1A1ATMNPC1RAB9ARECQL
SCHEMBL7061544 0.90 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL7062732 0.85 F2RL1 (0.48) ALDH1A1GAARECQLKMT2A
SCHEMBL7062615 0.85 ABCB1 (0.43) NPC1RAB9AABCB1MEN1KMT2A
SCHEMBL7055606 0.83 LDHA (0.50) ALDH1A1NPC1RAB9AGAARECQL
SCHEMBL7642798 0.82 ALDH1A1 (0.41) ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL7060200 0.82 GAA (0.49) ALDH1A1GAARECQLMEN1KMT2A
SCHEMBL7057963 0.82 NPC1 (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7637072 0.82 MTNR1A (0.46) NPC1RAB9AABCB1MEN1KMT2A
SCHEMBL7061320 0.81 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AGAARECQL

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