SCHEMBL7100866

SCHEMBL7100866

CC(C)CNC(=O)CC(C)N(C=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
HCRTR2 O43614 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 2/20 0.39
PSMB11 A5LHX3 1/20 0.39
PSMD11 O00231 1/20 0.39
PSMD12 O00232 1/20 0.39
PSMD14 O00487 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMD3 O43242 1/20 0.39
PSMC3 P17980 1/20 0.39
PSMB1 P20618 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
SCHEMBL7098472 0.79 HPGD (0.53) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL7098463 0.77 ALDH1A1 (0.40) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL7100804 0.77 HPGD (0.40) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL5268183 0.77 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1
SCHEMBL27744904 0.77 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1
SCHEMBL27530431 0.76 CTSB (0.44) ALDH1A1KMT2AMEN1
SCHEMBL19975099 0.76 HPGD (0.46) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL28010685 0.74 POLB (0.43) HPGDALDH1A1KMT2AMEN1BCHE
SCHEMBL11051963 0.74 MAOB (0.48) ALDH1A1KDM4E
SCHEMBL16166282 0.73 SLC1A3 (0.41) HPGDALDH1A1KMT2AMEN1MAPT

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 1 patent. 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