SCHEMBL7635263

SCHEMBL7635263

CC(=O)C(CCCOc1ccc(F)cc1)C(=O)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 3/20 0.41
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL7640173 0.86 TDP1 (0.61) KMT2AMEN1TDP1L3MBTL1LMNA
SCHEMBL7642347 0.86 KMT2A (0.50) KMT2AMEN1TDP1KDM4ESMN1; SMN2
SCHEMBL7635747 0.85 MEN1 (0.68) KMT2AMEN1TDP1KDM4ESMN1; SMN2
SCHEMBL7641777 0.84 MEN1 (0.58) KMT2AMEN1TDP1SMN1; SMN2NPC1
SCHEMBL7637931 0.82 TDP1 (0.56) KMT2AMEN1TDP1L3MBTL1LMNA
SCHEMBL7640827 0.81 TDP1 (0.55) KMT2AMEN1TDP1L3MBTL1LMNA
SCHEMBL7643116 0.81 TDP1 (0.55) KMT2AMEN1TDP1L3MBTL1LMNA
SCHEMBL7640316 0.80 TDP1 (0.53) KMT2AMEN1TDP1KDM4ESMN1; SMN2
SCHEMBL7635594 0.80 MMP1 (0.45) KMT2AMEN1TDP1KDM4ESMN1; SMN2
SCHEMBL7062396 0.79 NPSR1 (0.41) KMT2AMEN1KDM4ESMN1; SMN2L3MBTL1

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