SCHEMBL7641997

SCHEMBL7641997

COC(=O)C(CCCCCC(C)C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
FAAH O00519 1/20 0.37
ABCB1 P08183 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MME P08473 1/20 0.36
PTPN1 P18031 1/20 0.35
BLM P54132 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7634837 0.98 ZDHHC7 (0.39) ZDHHC7KDM4CKDM4APHF8KDM2A
SCHEMBL7634057 0.94 PTPN1 (0.39) ZDHHC7KDM4CKDM4APHF8KDM2A
SCHEMBL6922837 0.92 ZDHHC7 (0.47) ZDHHC7FAAHABCB1CA1CA2
SCHEMBL7634936 0.86 MME (0.39) ZDHHC7CA1CA2MMEPOLB
SCHEMBL3289939 0.85 ZDHHC7 (0.59) ZDHHC7FAAHABCB1CA1CA2
SCHEMBL7751074 0.85 ZDHHC7 (0.59) ZDHHC7FAAHABCB1CA1CA2
SCHEMBL7635540 0.85 ZDHHC7 (0.59) ZDHHC7FAAHABCB1CA1CA2
SCHEMBL7645423 0.85 ZDHHC7 (0.59) ZDHHC7FAAHABCB1CA1CA2
SCHEMBL11352057 0.85 ZDHHC7 (0.59) ZDHHC7FAAHABCB1CA1CA2
SCHEMBL8586333 0.85 ZDHHC7 (0.42) ZDHHC7FAAHABCB1CA1CA2

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