SCHEMBL7056922

SCHEMBL7056922

COC(=O)C(CCc1cccc(Cl)c1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC2A1 P11166 2/20 0.44
POLB P06746 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
CNR1 P21554 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7642010 0.92 SLC2A1 (0.45) TAAR1KMT2AALDH1A1MEN1HPGD
SCHEMBL7061966 0.88 MAPK1 (0.46) KMT2AALDH1A1MEN1HPGDSMN1; SMN2
SCHEMBL7061734 0.86 HPGD (0.44) TAAR1KMT2AALDH1A1MEN1HPGD
SCHEMBL3348204 0.86 PNMT (0.49) ALDH1A1HPGDSMN1; SMN2SLC2A1POLB
SCHEMBL7060848 0.85 HCAR2 (0.47) KMT2AALDH1A1MEN1HPGDSMN1; SMN2
SCHEMBL7055394 0.82 GAA (0.42) TAAR1KMT2AALDH1A1MEN1POLB
SCHEMBL7061793 0.82 TSHR (0.49) KMT2AALDH1A1MEN1HPGDSMN1; SMN2
SCHEMBL5603320 0.81 PNMT (0.53) KMT2AALDH1A1MEN1HPGDSMN1; SMN2
SCHEMBL7635571 0.80 MAPK1 (0.48) KMT2AALDH1A1SMN1; SMN2SLC2A1MAOB
SCHEMBL7060388 0.80 KDM4E (0.48) TAAR1KMT2AMEN1MAOBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
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