SCHEMBL7062379

SCHEMBL7062379

CCOC(=O)C(C(C)=O)C(C)c1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
NLRP3 Q96P20 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL7058174 0.87 SMN1; SMN2 (0.39) SMN1; SMN2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL7057922 0.85 KDM4E (0.36) SMN1; SMN2ALDH1A1KDM4ELMNAGAA
SCHEMBL7060866 0.84 ALDH1A1 (0.48) SMN1; SMN2KMT2AALDH1A1LMNARAB9A
SCHEMBL7058715 0.82 TP53 (0.43) SMN1; SMN2TP53NLRP3MEN1KMT2A
SCHEMBL16672742 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL30639005 0.78 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL1954072 0.78 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL16672995 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL16672638 0.75 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL4060619 0.74 SRC (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3

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