SCHEMBL7095203

SCHEMBL7095203

CC(C)CNC(=O)CCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
HPGD P15428 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CAPN1 P07384 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 2/20 0.36
MMP1 P03956 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL18414188 0.90 EPHX2 (0.46) EPHX2HPGDCYP2D6CYP2C19NR1H2
SCHEMBL14096740 0.90 RECQL (0.46) EPHX2HPGDCYP2D6CYP2C19NR1H2
SCHEMBL8558174 0.81 RECQL (0.50) EPHX2CYP2D6L3MBTL1RECQL
SCHEMBL7099855 0.81 TSHR (0.54) EPHX2HPGDCYP2D6CYP2C19L3MBTL1
SCHEMBL16724722 0.78 MEN1 (0.47) HPGDNR1H2CAPN1
SCHEMBL26242694 0.78 MAPT (0.47) EPHX2HPGDCYP2D6CYP2C19L3MBTL1
SCHEMBL13765209 0.77 CYP2D6 (0.37) EPHX2HPGDCYP2D6CYP2C19NR1H2
SCHEMBL17232599 0.77 APLNR (0.42) EPHX2CYP2D6L3MBTL1LMNARECQL
SCHEMBL17660249 0.76 HPGD (0.45) EPHX2HPGDCYP2D6CYP2C19NR1H2
SCHEMBL9098228 0.76 CA7 (0.41) EPHX2CYP2D6CYP2C19CAPN1

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 4 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
US-5672598-A MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US 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