SCHEMBL7097230

SCHEMBL7097230

CC[C@H](C(=O)NCC(C)C)N(O)C=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
MMP1 P03956 1/20 0.36
MMP8 P22894 1/20 0.36
EPHX1 P07099 1/20 0.35
HPGD P15428 1/20 0.34
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32

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
SCHEMBL7098147 0.83 EPHX1 (0.41) CYP2D6CYP2C19EPHX1CNR2CNR1
SCHEMBL7095567 0.79 CYP2D6 (0.35) CYP2D6CYP2C19ADH1BADH1CADH1A
SCHEMBL13609323 0.70 USP2 (0.62) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL9462919 0.70 CYP2D6 (0.52) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL28316659 0.69 CYP2C19 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL2604878 0.69 CYP2C19 (0.50) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL16160319 0.67 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL15510992 0.67 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL8083315 0.67 CYP2C19 (0.48) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL2604879 0.67 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8EPHX1

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