SCHEMBL7634877

SCHEMBL7634877

COC(=O)C(CCCCCCc1ccccc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
TRPA1 O75762 1/20 0.47
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC1 Q13547 2/20 0.45
ALOX5 P09917 1/20 0.45
HDAC2 Q92769 1/20 0.45
CES1 P23141 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10943747 1.00 FAAH (0.49) FAAHTRPA1MAPTRXFP1HDAC1
SCHEMBL10947084 1.00 FAAH (0.49) FAAHTRPA1MAPTRXFP1HDAC1
SCHEMBL10946578 1.00 FAAH (0.49) FAAHTRPA1MAPTRXFP1HDAC1
SCHEMBL7638044 1.00 FAAH (0.49) FAAHTRPA1MAPTRXFP1HDAC1
SCHEMBL7633465 0.98 FAAH (0.47) FAAHTRPA1MAPTRXFP1ALDH1A1
SCHEMBL6174065 0.94 CYP2D6 (0.45) HDAC1HDAC2ALDH1A1HPGDKMT2A
SCHEMBL7061793 0.88 TSHR (0.49) MAPTALDH1A1HPGDKMT2A
SCHEMBL7644517 0.87 TDP1 (0.54) TRPA1MAPTRXFP1ALOX5
SCHEMBL7635800 0.87 ALDH1A1 (0.50) FAAHTRPA1MAPTRXFP1ALDH1A1
SCHEMBL7640340 0.87 TDP1 (0.54) TRPA1MAPTRXFP1ALOX5

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