SCHEMBL7634831

SCHEMBL7634831

COC(=O)C(CCCCCBr)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.44
FAAH O00519 4/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ABCB1 P08183 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TSHR P16473 1/20 0.31
ASAH1 Q13510 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6922837 0.90 ZDHHC7 (0.47) ZDHHC7FAAHCA1CA2L3MBTL1
SCHEMBL11615148 0.84 LCK (0.34) ZDHHC7FAAHCNR1CNR2ASAH1
SCHEMBL7643063 0.84 TDP1 (0.41) ZDHHC7FAAHL3MBTL1LMNATSHR
SCHEMBL7635540 0.83 ZDHHC7 (0.59) ZDHHC7FAAHCA1CA2ABCB1
SCHEMBL7751074 0.83 ZDHHC7 (0.59) ZDHHC7FAAHCA1CA2ABCB1
SCHEMBL7645423 0.83 ZDHHC7 (0.59) ZDHHC7FAAHCA1CA2ABCB1
SCHEMBL3289939 0.83 ZDHHC7 (0.59) ZDHHC7FAAHCA1CA2ABCB1
SCHEMBL11352057 0.83 ZDHHC7 (0.59) ZDHHC7FAAHCA1CA2ABCB1
SCHEMBL7641997 0.83 ZDHHC7 (0.42) ZDHHC7FAAHCA1CA2ABCB1
SCHEMBL8586333 0.83 ZDHHC7 (0.42) ZDHHC7FAAHCA1CA2ABCB1

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