SCHEMBL7634890

SCHEMBL7634890

CCOC(=O)C(CCCC(C)C)=NO

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
KYAT1 Q16773 6/20 0.37
PTPN1 P18031 1/20 0.36
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
FAAH O00519 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
CYP1A2 P05177 1/20 0.32
CA1 P00915 1/20 0.31

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
SCHEMBL7644872 0.95 APOBEC3A (0.55) APOBEC3AAPOBEC3GKYAT1PTPN1MAPT
SCHEMBL7634101 0.93 APOBEC3A (0.54) APOBEC3AAPOBEC3GKYAT1KDM4CFAAH
SCHEMBL7634040 0.89 APOBEC3A (0.51) APOBEC3AAPOBEC3GKYAT1MAPTNPSR1
SCHEMBL7634077 0.82 APOBEC3A (0.37) APOBEC3AAPOBEC3GPTPN1KDM4CKDM4A
SCHEMBL6156730 0.82 APOBEC3A (0.63) APOBEC3AAPOBEC3GKYAT1MAPTFAAH
SCHEMBL6156734 0.82 APOBEC3A (0.63) APOBEC3AAPOBEC3GKYAT1MAPTFAAH
SCHEMBL6156735 0.82 APOBEC3A (0.63) APOBEC3AAPOBEC3GKYAT1MAPTFAAH
SCHEMBL7642991 0.81 APOBEC3A (0.36) APOBEC3AAPOBEC3GPTPN1CA1
SCHEMBL7640240 0.80 APOBEC3A (0.61) APOBEC3AAPOBEC3GKYAT1PTPN1FAAH
SCHEMBL7639888 0.79 APOBEC3A (0.59) APOBEC3AAPOBEC3GPTPN1FAAH

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