SCHEMBL7056978

SCHEMBL7056978

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ACHE P22303 1/20 0.53
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 3/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7060183 0.85 ALDH1A1 (0.47) CNR2ALDH1A1PPARGPPARAFABP7
SCHEMBL7059054 0.85 ALDH1A1 (0.47) MEN1KMT2ACNR2ALDH1A1NPC1
SCHEMBL7062436 0.84 ACHE (0.55) CA1CA2ACHEMEN1KMT2A
SCHEMBL7055439 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL7055407 0.82 TP53 (0.54) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7057954 0.82 CA1 (0.57) CA1CA2ACHEMEN1KMT2A
SCHEMBL7059145 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7055378 0.80 CA1 (0.52) CA1CA2ACHEATMMEN1
SCHEMBL7058159 0.80 RAB9A (0.47) CA1CA2ACHEMEN1KMT2A
SCHEMBL18978326 0.78 ATM (0.56) CA1CA2ACHEATMCNR2

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