SCHEMBL7640728

SCHEMBL7640728

CCOC(=O)C(CCC(C)c1ccccc1)=NO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.40
MMP8 P22894 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL7636532 0.89 APOBEC3A (0.47) APOBEC3AAPOBEC3GALDH1A1SMN1; SMN2MEN1
SCHEMBL7636528 0.89 APOBEC3A (0.47) APOBEC3AAPOBEC3GALDH1A1SMN1; SMN2MEN1
SCHEMBL7640318 0.86 ALDH1A1 (0.43) ALDH1A1KMT2ATSHR
SCHEMBL7638399 0.86 HPGD (0.41) ALDH1A1MEN1KMT2ATSHRNPC1
SCHEMBL7635579 0.84 TRPA1 (0.40) SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7635454 0.84 APOBEC3A (0.41) APOBEC3AAPOBEC3GALDH1A1SMN1; SMN2MEN1
SCHEMBL7635302 0.84 APOBEC3A (0.43) APOBEC3AAPOBEC3GALDH1A1SMN1; SMN2MEN1
SCHEMBL7635297 0.84 APOBEC3A (0.43) APOBEC3AAPOBEC3GALDH1A1SMN1; SMN2MEN1
SCHEMBL7638920 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL29069352 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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