SCHEMBL7640366

SCHEMBL7640366

CCOC(=O)C(CCC(OC(C)C)c1ccc(C)cc1)=NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CTBP2 P56545 1/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FFAR1 O14842 1/20 0.34
ACHE P22303 2/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.32
UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL7635454 0.90 APOBEC3A (0.41) APOBEC3AAPOBEC3GSMN1; SMN2GAAMEN1
SCHEMBL7637375 0.89 CTBP2 (0.35) SMN1; SMN2HTTCTBP2KMT2AFFAR1
SCHEMBL7636473 0.89 CTBP2 (0.35) SMN1; SMN2HTTCTBP2KMT2AACHE
SCHEMBL7637369 0.89 CTBP2 (0.35) SMN1; SMN2HTTCTBP2KMT2AFFAR1
SCHEMBL7640145 0.86 LMNA (0.39) CTBP2FFAR1MAPTALOX5UTS2R
SCHEMBL7641602 0.84 SMN1; SMN2 (0.38) KYAT1SMN1; SMN2GAAHTTDHODH
SCHEMBL7644238 0.78 ALDH1A1 (0.39) HTTCTBP2KMT2AALOX5
SCHEMBL7634044 0.78 KYAT1 (0.43) KYAT1APOBEC3AAPOBEC3GSMN1; SMN2GAA
SCHEMBL7635297 0.77 APOBEC3A (0.43) KYAT1APOBEC3AAPOBEC3GSMN1; SMN2GAA
SCHEMBL7635302 0.77 APOBEC3A (0.43) KYAT1APOBEC3AAPOBEC3GSMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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