SCHEMBL7055409

SCHEMBL7055409

CCOC(=O)C(CCc1ccc(OC)cc1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
LDHA P00338 1/20 0.47
F2RL1 P55085 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
ALOX5 P09917 1/20 0.46
MEN1 O00255 2/20 0.44
EPHX2 P34913 1/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CCR6 P51684 1/20 0.43
HKDC1 Q2TB90 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
SCHEMBL28126623 0.92 KMT2A (0.57) KMT2AGLASMN1; SMN2LDHAF2RL1
SCHEMBL7641920 0.92 KMT2A (0.51) KMT2AGLASMN1; SMN2LDHAF2RL1
SCHEMBL8710489 0.88 KMT2A (0.54) KMT2AGLASMN1; SMN2LDHAF2RL1
SCHEMBL7058164 0.88 SMN1; SMN2 (0.54) KMT2AGLASMN1; SMN2LDHAF2RL1
SCHEMBL15714182 0.86 KMT2A (0.51) KMT2AGLASMN1; SMN2LDHAF2RL1
SCHEMBL12888456 0.86 KMT2A (0.51) KMT2AGLASMN1; SMN2LDHAF2RL1
SCHEMBL854302 0.85 LDHA (0.63) KMT2AGLASMN1; SMN2LDHAALDH1A1
SCHEMBL7061306 0.84 ALDH1A1 (0.47) KMT2AGLASMN1; SMN2LDHAF2RL1
SCHEMBL7056453 0.84 EPHX2 (0.42) KMT2ASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL7057182 0.84 EPHX2 (0.44) SMN1; SMN2ALDH1A1TSHRLMNAALOX5

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