SCHEMBL7633397

SCHEMBL7633397

CCCCC(C(C)=O)C(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
FAAH O00519 1/20 0.44
CA2 P00918 3/20 0.40
CA1 P00915 3/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
CTSK P43235 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
MAPT P10636 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
SCHEMBL7644128 0.94 FAAH (0.50) LMNAFAAHCA1ZDHHC7
SCHEMBL7635608 0.93 FAAH (0.53) LMNAFAAHCA1MAPK1ZDHHC7
SCHEMBL7641729 0.93 FAAH (0.53) LMNAFAAHCA1MAPK1ZDHHC7
SCHEMBL7637304 0.93 FAAH (0.53) LMNAFAAHCA1MAPK1ZDHHC7
SCHEMBL6063160 0.90 LMNA (0.48) LMNAFAAHCA2CA1TSHR
SCHEMBL7636824 0.88 TSHR (0.41) LMNAFAAHCA2CA1TSHR
SCHEMBL8469134 0.86 LMNA (0.46) LMNAFAAHCA2CA1TSHR
SCHEMBL7636863 0.85 TSHR (0.38) LMNAFAAHCA1TSHRTDP1
SCHEMBL7643066 0.85 PTPN1 (0.38) LMNAFAAHCA1TSHRTDP1
SCHEMBL7636866 0.83 FAAH (0.39) LMNAFAAHTSHRTDP1ZDHHC7

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