SCHEMBL7059752

SCHEMBL7059752

CC(=O)C(CCc1ccc2ccccc2c1Cl)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
NCEH1 Q6PIU2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KCNJ11 Q14654 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MMP3 P08254 1/20 0.34
CTNNB1 P35222 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2A6 P11509 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7060992 0.88 NCEH1 (0.44) LMNANCEH1SMN1; SMN2KMT2AMEN1
SCHEMBL7056335 0.87 KMT2A (0.42) LMNANCEH1SMN1; SMN2KMT2AMEN1
SCHEMBL7057919 0.86 NCEH1 (0.40) LMNANCEH1SMN1; SMN2KCNJ11POLB
SCHEMBL7062424 0.85 CTNNB1 (0.45) KMT2AMEN1POLBALDH1A1CTNNB1
SCHEMBL7056868 0.84 ELANE (0.41) LMNANCEH1SMN1; SMN2KMT2AMEN1
SCHEMBL7059738 0.82 NCEH1 (0.44) LMNANCEH1KMT2AMEN1KCNJ11
SCHEMBL7057024 0.77 LMNA (0.40) LMNANCEH1SMN1; SMN2KMT2AMEN1
SCHEMBL7061330 0.76 ALDH1A1 (0.39) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7060044 0.75 CES2 (0.44) LMNASMN1; SMN2NPC1TP53RAB9A
SCHEMBL7056503 0.75 NCEH1 (0.39) NCEH1KMT2AMEN1ALDH1A1KDM4E

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