SCHEMBL7056451

SCHEMBL7056451

CCOC(=O)C(C(C)=O)C(C)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
HPGD P15428 1/20 0.39
MME P08473 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL7057177 0.84 BRD4 (0.53) SMN1; SMN2TP53MAPTLMNAMEN1
SCHEMBL7061438 0.84 GAA (0.43) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL11458679 0.84 MMP8 (0.50) SMN1; SMN2TP53LMNAMEN1KMT2A
SCHEMBL7055407 0.83 TP53 (0.54) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL7062394 0.83 MAPT (0.39) MAPTNPSR1MEN1KMT2AGAA
SCHEMBL28676346 0.82 TP53 (0.47) SMN1; SMN2TP53MAPTNPSR1MEN1
SCHEMBL7060183 0.81 ALDH1A1 (0.47) LMNAKDM4EALDH1A1PPARG
SCHEMBL7062600 0.80 MAPT (0.50) SMN1; SMN2TP53MAPTLMNAMEN1
SCHEMBL4749311 0.79 MMP8 (0.47) SMN1; SMN2TP53MAPTLMNANPSR1
SCHEMBL11857185 0.78 MAPT (0.47) SMN1; SMN2MAPTLMNANPSR1MEN1

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