SCHEMBL7094956

SCHEMBL7094956

C=CCC(CC(=O)NCC(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
CPA1 P15085 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MME P08473 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 5/20 0.36
MMP1 P03956 1/20 0.34
MMP8 P22894 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.33

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
SCHEMBL8049132 0.79 MME (0.57) CYP2D6CYP2C19CPA1ALDH1A1MME
SCHEMBL8049130 0.79 MME (0.57) CYP2D6CYP2C19CPA1ALDH1A1MME
SCHEMBL9516214 0.75 GRIK1 (0.47) CYP2C19GRIK1GRIK2CPA1MME
SCHEMBL4795102 0.72 GRIK1 (0.62) CYP2C19GRIK1GRIK2CPA1ALDH1A1
SCHEMBL7305997 0.72 GRIK1 (0.62) CYP2C19GRIK1GRIK2CPA1ALDH1A1
SCHEMBL1885655 0.72 GRIK1 (0.62) CYP2C19GRIK1GRIK2CPA1ALDH1A1
SCHEMBL24215021 0.72 GRIK1 (0.55) CYP2C19GRIK1GRIK2CPA1MAPT
SCHEMBL56402 0.72 GRIK1 (0.55) CYP2C19GRIK1GRIK2CPA1MAPT
SCHEMBL7114024 0.72 GRIK1 (0.55) CYP2C19GRIK1GRIK2CPA1MAPT
SCHEMBL6644938 0.71 CYP2D6 (0.56) CYP2D6CYP2C19ALDH1A1HPGDMMP1

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-0815084-B1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE PROCTER & GAMBLE (US) 2003-08-27 EP disclosed
EP-0815084-A1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE THE PROCTER & GAMBLE COMPANY (US) 1998-01-07 EP disclosed
WO-1996029313-A1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE THE PROCTER & GAMBLE COMPANY (US) 1996-09-26 WO disclosed