SCHEMBL7062707

SCHEMBL7062707

COC(=O)C(C(C)=O)C(C)c1ccc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PRNP P04156 4/20 0.39
RXFP1 Q9HBX9 3/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 3/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL7057917 0.88 NCEH1 (0.42) NCEH1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL7061779 0.87 PRNP (0.42) NCEH1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL7638906 0.85 NCEH1 (0.43) NCEH1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL7060991 0.84 LMNA (0.43) NCEH1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL7060357 0.84 ALDH1A1 (0.44) NCEH1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL7060366 0.83 MEN1 (0.44) LMNACYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL7056408 0.80 NCEH1 (0.47) NCEH1HPGDMAPTLMNACYP3A4
SCHEMBL7061398 0.77 CYP2C19 (0.44) SMN1; SMN2CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL13269534 0.74 NCEH1 (0.43) NCEH1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL7060691 0.73 CYP3A4 (0.40) SMN1; SMN2HPGDCYP3A4CYP2C19ALDH1A1

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