SCHEMBL7060899

SCHEMBL7060899

CC(C)OC(=O)C(=O)CCc1ccc2ccccc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.38
MMP3 P08254 1/20 0.37
PRNP P04156 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
KCNJ11 Q14654 1/20 0.36
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
SCHEMBL7059670 0.85 NCEH1 (0.39) NCEH1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL7059673 0.85 NCEH1 (0.39) NCEH1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL7060990 0.85 SMN1; SMN2 (0.45) NCEH1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL7057024 0.85 LMNA (0.40) NCEH1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7057945 0.84 CDYL (0.48) ALDH1A1POLB
SCHEMBL7060600 0.83 PRNP (0.44) NCEH1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL7056538 0.81 TSHR (0.45) NCEH1NPC1MAPTRAB9APOLB
SCHEMBL7058038 0.79 NCEH1 (0.43) NCEH1MAPTPRNPRXFP1ALDH1A1
SCHEMBL7060221 0.78 TAAR1 (0.40) SMN1; SMN2HPGDALDH1A1
SCHEMBL7057919 0.77 NCEH1 (0.40) NCEH1SMN1; SMN2NPC1MAPTRAB9A

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