SCHEMBL7635778

SCHEMBL7635778

CCCCCCCCC(=NO)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
FAAH O00519 2/20 0.51
DGKA P23743 1/20 0.46
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 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
SCHEMBL7639888 1.00 APOBEC3A (0.59) APOBEC3AAPOBEC3GFAAHDGKACES2
SCHEMBL7643168 1.00 APOBEC3A (0.59) APOBEC3AAPOBEC3GFAAHDGKACES2
SCHEMBL7640240 0.98 APOBEC3A (0.61) APOBEC3AAPOBEC3GFAAHDGKACES2
SCHEMBL6156734 0.92 APOBEC3A (0.63) APOBEC3AAPOBEC3GFAAHDGKACES2
SCHEMBL6156735 0.92 APOBEC3A (0.63) APOBEC3AAPOBEC3GFAAHDGKACES2
SCHEMBL6156730 0.92 APOBEC3A (0.63) APOBEC3AAPOBEC3GFAAHDGKACES2
SCHEMBL9331340 0.91 FAAH (0.68) APOBEC3AAPOBEC3GFAAHPPARGPPARD
SCHEMBL9331344 0.91 FAAH (0.68) APOBEC3AAPOBEC3GFAAHPPARGPPARD
SCHEMBL10976645 0.87 TSHR (0.53) APOBEC3AAPOBEC3GFAAHDGKACES2
SCHEMBL10985698 0.87 TSHR (0.53) APOBEC3AAPOBEC3GFAAHDGKACES2

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