SCHEMBL7635454

SCHEMBL7635454

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
GABRA1 P14867 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL7640366 0.90 KYAT1 (0.39) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL7644238 0.88 ALDH1A1 (0.39) KMT2AALDH1A1TSHRCYP3A4
SCHEMBL7635302 0.87 APOBEC3A (0.43) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL7639035 0.87 KMT2A (0.36) KMT2AALDH1A1MAPTTSHRGAA
SCHEMBL7642720 0.87 TSHR (0.37) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL7642725 0.87 TSHR (0.37) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL7635297 0.87 APOBEC3A (0.43) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL7640728 0.84 APOBEC3A (0.45) APOBEC3AAPOBEC3GSMN1; SMN2MEN1KMT2A
SCHEMBL7635923 0.84 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMMP8ALDH1A1
SCHEMBL7636528 0.84 APOBEC3A (0.47) APOBEC3AAPOBEC3GSMN1; 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