SCHEMBL7059751

SCHEMBL7059751

CC(=O)C(C(=O)OC(C)C)C(C)c1ccc2ccccc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
NCEH1 Q6PIU2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
KCNJ11 Q14654 1/20 0.36
CYP2A6 P11509 1/20 0.35
TP53 P04637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34

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
SCHEMBL7060991 0.88 LMNA (0.43) LMNANCEH1SMN1; SMN2CYP2A6TP53
SCHEMBL7056331 0.86 KMT2A (0.43) LMNANCEH1SMN1; SMN2TP53HPGD
SCHEMBL7057917 0.85 NCEH1 (0.42) LMNANCEH1SMN1; SMN2KCNJ11TP53
SCHEMBL7062421 0.84 LMNA (0.39) LMNAKCNJ11MEN1KMT2AALDH1A1
SCHEMBL7056865 0.83 ALDH1A1 (0.44) LMNANCEH1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7059734 0.81 TSHR (0.44) LMNANCEH1KCNJ11HPGDMEN1
SCHEMBL7061326 0.74 ESR1 (0.38) SMN1; SMN2POLBHPGDL3MBTL1TDP1
SCHEMBL7056500 0.73 MEN1 (0.39) LMNANCEH1KCNJ11MEN1KMT2A
SCHEMBL7060040 0.73 L3MBTL1 (0.49) LMNATP53L3MBTL1TDP1MEN1
SCHEMBL7062707 0.73 NCEH1 (0.46) LMNANCEH1SMN1; SMN2TP53NPC1

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