SCHEMBL7059136

SCHEMBL7059136

COC(=O)C(=O)CCc1ccc2ccccc2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NCEH1 Q6PIU2 1/20 0.45
MMP3 P08254 3/20 0.41
MTNR1A P48039 3/20 0.40
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
P2RX7 Q99572 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL7058564 0.86 KMT2A (0.44) LMNASMN1; SMN2NCEH1ATMCYP1A2
SCHEMBL7057024 0.85 LMNA (0.40) LMNASMN1; SMN2NCEH1MMP3MTNR1A
SCHEMBL7056423 0.84 LMNA (0.41) LMNASMN1; SMN2NCEH1MMP3MTNR1A
SCHEMBL7056422 0.84 LMNA (0.41) LMNASMN1; SMN2NCEH1MMP3MTNR1A
SCHEMBL7060990 0.83 SMN1; SMN2 (0.45) LMNASMN1; SMN2NCEH1MMP3MTNR1A
SCHEMBL6172613 0.82 MTNR1A (0.52) MTNR1AATMP2RX7
SCHEMBL7056873 0.82 CYP1A2 (0.42) LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL7057071 0.80 NCEH1 (0.50) LMNANCEH1MMP3MTNR1AATM
SCHEMBL12396191 0.77 ALDH1A1 (0.50) LMNAMTNR1A
SCHEMBL11462248 0.77 LMNA (0.49) LMNASMN1; SMN2NCEH1MTNR1AATM

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