SCHEMBL7644176

SCHEMBL7644176

Cc1cccc(OCCCCC(=O)C(=O)OC(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 3/20 0.51
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7640042 0.85 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AHPGDL3MBTL1MAPK1
SCHEMBL7637129 0.85 HDAC3 (0.59) SMN1; SMN2KMT2AHPGDL3MBTL1MAPK1
SCHEMBL7636063 0.85 HDAC1 (0.58) HPGDL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL7644247 0.84 L3MBTL1 (0.58) SMN1; SMN2KMT2AHPGDL3MBTL1MAPK1
SCHEMBL7641947 0.83 L3MBTL1 (0.51) KMT2AHPGDL3MBTL1POLBMEN1
SCHEMBL7634777 0.83 HDAC1 (0.60) HPGDALDH1A1
SCHEMBL7642013 0.83 HDAC1 (0.60) HPGDALDH1A1
SCHEMBL12879322 0.82 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AHPGDL3MBTL1MAPK1
SCHEMBL7635884 0.80 ALDH1A1 (0.54) SMN1; SMN2KMT2AHPGDL3MBTL1MAPK1
SCHEMBL7640261 0.79 TSHR (0.59) SMN1; SMN2KMT2AHPGDL3MBTL1LMNA

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