SCHEMBL7057024

SCHEMBL7057024

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NCEH1 Q6PIU2 1/20 0.39
KCNJ11 Q14654 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MMP3 P08254 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
CDYL Q9Y232 1/20 0.34
MTNR1A P48039 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 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
SCHEMBL7057322 0.85 LMNA (0.37) LMNASMN1; SMN2NCEH1KCNJ11POLB
SCHEMBL7057324 0.85 LMNA (0.37) LMNASMN1; SMN2NCEH1KCNJ11POLB
SCHEMBL7059136 0.85 LMNA (0.45) LMNASMN1; SMN2NCEH1MMP3CYP2A6
SCHEMBL7060899 0.85 NCEH1 (0.42) LMNASMN1; SMN2NCEH1KCNJ11POLB
SCHEMBL7057945 0.84 CDYL (0.48) POLBALDH1A1CDYLMTNR1ATDP1
SCHEMBL7058564 0.83 KMT2A (0.44) LMNASMN1; SMN2NCEH1ALDH1A1CYP1A2
SCHEMBL7056538 0.81 TSHR (0.45) LMNANCEH1KCNJ11POLBNPC1
SCHEMBL7056873 0.79 CYP1A2 (0.42) LMNASMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL7059752 0.77 LMNA (0.40) LMNASMN1; SMN2NCEH1KCNJ11POLB
SCHEMBL7058010 0.74 KDM4E (0.43) NCEH1ALDH1A1CYP1A2HPGDMEN1

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