SCHEMBL7056982

SCHEMBL7056982

COc1ccc(CCC(C(C)=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ATM Q13315 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ABCB1 P08183 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FFAR1 O14842 1/20 0.47
LDHA P00338 1/20 0.47
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
ALOX5 P09917 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL7637139 0.92 TDP1 (0.50) ALDH1A1ATMNPC1RAB9AMEN1
SCHEMBL7059676 0.90 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL7059056 0.85 PPARA (0.49) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7060186 0.85 PPARG (0.50) ALDH1A1ATMMEN1KMT2AFABP7
SCHEMBL7062438 0.84 MTNR1A (0.51) ALDH1A1ABCB1KMT2ALDHAL3MBTL1
SCHEMBL7055409 0.83 KMT2A (0.54) ALDH1A1MEN1KMT2ALDHAALOX5
SCHEMBL7058164 0.83 SMN1; SMN2 (0.54) ALDH1A1KMT2ALDHA
SCHEMBL7057957 0.83 MTNR1A (0.52) MEN1KMT2AL3MBTL1
SCHEMBL7055381 0.83 ABCB1 (0.47) ALDH1A1NPC1RAB9AABCB1MEN1
SCHEMBL7055441 0.83 TACR1 (0.46) ALDH1A1NPC1RAB9AMAPT

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