SCHEMBL7060600

SCHEMBL7060600

CCOC(=O)C(=O)CCc1ccc2ccccc2c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NCEH1 Q6PIU2 2/20 0.40
CDYL Q9Y232 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL7060990 0.86 SMN1; SMN2 (0.45) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL7057910 0.85 PRNP (0.41) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL7057912 0.85 PRNP (0.41) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL7058038 0.85 NCEH1 (0.43) PRNPRXFP1MAPTALDH1A1L3MBTL1
SCHEMBL7058564 0.84 KMT2A (0.44) SMN1; SMN2NPC1MAPTRAB9ACYP4F2
SCHEMBL7062411 0.83 CDYL (0.55) CYP4F2CYP4A11HPGDALDH1A1KDM4E
SCHEMBL7060899 0.83 NCEH1 (0.42) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL7062430 0.81 TSHR (0.49) SMN1; SMN2NPC1MAPTRAB9ACYP4F2
SCHEMBL6655998 0.78 ALDH1A1 (0.53) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL7061870 0.77 CYP4F2 (0.49) SMN1; SMN2MAPTCYP4F2CYP4A11ALDH1A1

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