SCHEMBL9714935

SCHEMBL9714935

COC(=O)CC(Cl)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.41
MDM2 Q00987 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TRPA1 O75762 1/20 0.39
GSK3B P49841 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
GPR55 Q9Y2T6 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
SCHEMBL9715018 0.87 TDP1 (0.47) L3MBTL1ALDH1A1HTTHPGDKDM4E
SCHEMBL9714993 0.85 KMT2A (0.47) L3MBTL1ALDH1A1HTTLMNAMDM2
SCHEMBL11471490 0.85 L3MBTL1 (0.46) L3MBTL1ALDH1A1HTTHPGDKDM4E
SCHEMBL10403783 0.82 L3MBTL1 (0.43) L3MBTL1ALDH1A1HTTHPGDKDM4E
SCHEMBL10594726 0.81 HTT (0.47) L3MBTL1ALDH1A1HTTHPGDKDM4E
SCHEMBL1360295 0.81 L3MBTL1 (0.43) L3MBTL1ALDH1A1HTTHPGDKDM4E
SCHEMBL11235282 0.79 CYP2C9 (0.49) L3MBTL1ALDH1A1HPGDKDM4ELMNA
SCHEMBL26282473 0.77 NTSR1 (0.52) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL8381296 0.76 L3MBTL1 (0.47) L3MBTL1ALDH1A1HTTLMNAMAPT
SCHEMBL5212344 0.75 MDM2 (0.45) L3MBTL1ALDH1A1HTTHPGDKDM4E

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
WO-1992018484-A1 3-AMINO-5-ARYLPYRAZOLE-4-ACETIC ACID DERIVATIVES EXHIBITING THERAPEUTIC EFFECTS A.H. ROBINS COMPANY, INCORPORATED (US) 1992-10-29 WO disclosed
US-5057534-A Anxiolytic, anticonfulsant and muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed