SCHEMBL7644128

SCHEMBL7644128

CCCCCC(C(C)=O)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.50
LMNA P02545 2/20 0.47
CA1 P00915 2/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
ABCB1 P08183 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
BIRC2 Q13490 1/20 0.37

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
SCHEMBL7641729 0.98 FAAH (0.53) FAAHLMNACA1ZDHHC7ABCB1
SCHEMBL7635608 0.98 FAAH (0.53) FAAHLMNACA1ZDHHC7ABCB1
SCHEMBL7637304 0.98 FAAH (0.53) FAAHLMNACA1ZDHHC7ABCB1
SCHEMBL7633397 0.94 LMNA (0.44) FAAHLMNACA1ZDHHC7
SCHEMBL7640123 0.89 LMNA (0.55) FAAHLMNACA1ZDHHC7ABCB1
SCHEMBL27346868 0.89 LMNA (0.55) FAAHLMNACA1ZDHHC7ABCB1
SCHEMBL28665609 0.89 LMNA (0.55) FAAHLMNACA1ZDHHC7ABCB1
SCHEMBL7636863 0.87 TSHR (0.38) FAAHLMNACA1
SCHEMBL7636824 0.86 TSHR (0.41) FAAHLMNACA1
SCHEMBL7636866 0.85 FAAH (0.39) FAAHLMNAZDHHC7

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