SCHEMBL7058737

SCHEMBL7058737

CCOC(=O)C(CCc1ccc(OC)c(OC)c1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
STAT3 P40763 1/20 0.54
LDHA P00338 1/20 0.51
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL7055625 0.89 STAT3 (0.56) LMNASMN1; SMN2STAT3LDHACA12
SCHEMBL11010315 0.86 LDHA (0.66) LMNASMN1; SMN2LDHACA12CA1
SCHEMBL7059690 0.85 STAT3 (0.52) LMNASMN1; SMN2STAT3LDHACA12
SCHEMBL7062438 0.85 MTNR1A (0.51) STAT3LDHAKDM4EALDH1A1
SCHEMBL7055409 0.82 KMT2A (0.54) LMNASMN1; SMN2LDHAKDM4EMAPT
SCHEMBL491026 0.81 LDHA (0.71) LMNASMN1; SMN2LDHACA12CA1
SCHEMBL6778533 0.81 LMNA (0.55) LMNASMN1; SMN2STAT3LDHACA12
SCHEMBL6779971 0.80 LMNA (0.56) LMNASMN1; SMN2STAT3LDHACA12
SCHEMBL7057079 0.80 MTNR1A (0.50) SMN1; SMN2MAPTALDH1A1
SCHEMBL6781356 0.79 LMNA (0.53) LMNASMN1; SMN2STAT3LDHAGAA

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