SCHEMBL7635592

SCHEMBL7635592

CCOC(=O)C(=O)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MMP8 P22894 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KCNA3 P22001 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
PIN1 Q13526 1/20 0.42

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
SCHEMBL7638920 0.87 ALDH1A1 (0.47) MEN1KMT2AMMP8MAPTALDH1A1
SCHEMBL7638616 0.84 KMT2A (0.43) CASRMEN1KMT2AMMP8MAPT
SCHEMBL28633131 0.83 SMN1; SMN2 (0.51) CASRMEN1KMT2AMMP8ALDH1A1
SCHEMBL7645413 0.83 MTNR1A (0.50) CASRMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7635923 0.82 SMN1; SMN2 (0.42) CASRMEN1KMT2AMMP8MAPT
SCHEMBL7636966 0.82 ALDH1A1 (0.47) KMT2AMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL7636532 0.81 APOBEC3A (0.47) CASRMEN1KMT2AMMP8MAPT
SCHEMBL7636528 0.81 APOBEC3A (0.47) CASRMEN1KMT2AMMP8MAPT
SCHEMBL7640877 0.80 CASR (0.45) CASRMAPTSMN1; SMN2GAAMTNR1A
Hydrochloric Acid SCHEMBL4913761 0.78 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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