SCHEMBL7641602

SCHEMBL7641602

CCOC(=O)C(=O)CCC(OC(C)C)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
DHODH Q02127 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
FFAR1 O14842 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ACHE P22303 1/20 0.35
ALOX5 P09917 1/20 0.35
KYAT1 Q16773 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL7635923 0.89 SMN1; SMN2 (0.42) SMN1; SMN2GAAKMT2AMEN1CTDSP1
SCHEMBL7635756 0.87 ACHE (0.36) ACHEALOX5UTS2RTDP1
SCHEMBL7640867 0.87 UTS2R (0.37) SMN1; SMN2GAAFFAR1POLBACHE
SCHEMBL7634845 0.85 LMNA (0.44) SMN1; SMN2FFAR1ALOX5UTS2R
SCHEMBL7640366 0.84 KYAT1 (0.39) SMN1; SMN2GAAHTTDHODHKMT2A
SCHEMBL7641879 0.78 MEN1 (0.46) SMN1; SMN2KMT2AMEN1FFAR1ACHE
SCHEMBL7634115 0.76 ALDH1A1 (0.43) SMN1; SMN2HTTKMT2AMEN1TDP1
SCHEMBL7641996 0.75 SMN1; SMN2 (0.43) SMN1; SMN2GAAKMT2AMEN1FFAR1
SCHEMBL7636473 0.75 CTBP2 (0.35) SMN1; SMN2HTTKMT2ARAB9AACHE
SCHEMBL7637375 0.75 CTBP2 (0.35) SMN1; SMN2HTTKMT2AFFAR1RAB9A

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