SCHEMBL7928518

SCHEMBL7928518

COc1ccc(CN2C(=O)NC(=O)C2(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.53
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.47
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
P2RX4 Q99571 1/20 0.43
CASP3 P42574 1/20 0.42

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
SCHEMBL6876505 0.80 ITGAL (0.40) ALDH1A1MAPTGAAKDM4E
SCHEMBL28555563 0.76 CA12 (0.44) MEN1KMT2AL3MBTL1
SCHEMBL4244290 0.76 MAPT (0.39) ALDH1A1MEN1KMT2AMAPT
SCHEMBL1773322 0.73 CMA1 (0.60) CMA1GSK3AGSK3BALDH1A1MEN1
SCHEMBL20303778 0.72 LMNA (0.57) CMA1GSK3AGSK3BALDH1A1MEN1
SCHEMBL28865712 0.72 ALDH1A1 (0.55) CMA1ALDH1A1MEN1KMT2AGAA
SCHEMBL1126125 0.72 GAA (0.50) CMA1GSK3AGSK3BALDH1A1MEN1
SCHEMBL21496819 0.71 KDM4E (0.42) CMA1GSK3AGSK3BALDH1A1MAPT
SCHEMBL31164198 0.71 CMA1 (0.42) CMA1GSK3AGSK3BALDH1A1MEN1
SCHEMBL7449650 0.71 CMA1 (0.56) CMA1GSK3AGSK3BALDH1A1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225463-B1 REACTING S-AMINE COMPOUND WITH AN ALDEHYDE; REACTING WITH ACYL CHLORIDE IN PRESENCE OF TRIETHYLAMINE TO FORM DIASTEREOISOMERIC BETA-LACTAMS; SEPARATION; TREATING WITH CERIUM AMMONIUM NITRATE AND ACETONITRILE AND WATER PHARMACHEMIE B.V. (NL) 2001-05-01 US claimed
EP-0933360-A1 Synthesis of new beta-lactams PHARMACHEMIE B.V. (NL) 1999-08-04 EP claimed
CN-1178906-C N-hydroxyformamide derivatives as inhibitors of matrix metalloproteinases ���Ͽع����޹�˾ 2004-12-08 CN disclosed
US-6225463-B1 REACTING S-AMINE COMPOUND WITH AN ALDEHYDE; REACTING WITH ACYL CHLORIDE IN PRESENCE OF TRIETHYLAMINE TO FORM DIASTEREOISOMERIC BETA-LACTAMS; SEPARATION; TREATING WITH CERIUM AMMONIUM NITRATE AND ACETONITRILE AND WATER PHARMACHEMIE B.V. (NL) 2001-05-01 US disclosed
US-6225463-B1 REACTING S-AMINE COMPOUND WITH AN ALDEHYDE; REACTING WITH ACYL CHLORIDE IN PRESENCE OF TRIETHYLAMINE TO FORM DIASTEREOISOMERIC BETA-LACTAMS; SEPARATION; TREATING WITH CERIUM AMMONIUM NITRATE AND ACETONITRILE AND WATER PHARMACHEMIE B.V. (NL) 2001-05-01 US disclosed
CN-1261876-A N-hydroxyformamide derivatives as inhibitors of matrix metalloproteinases ABBOTT LAB (US) 2000-08-02 CN disclosed
EP-0933360-A1 Synthesis of new beta-lactams PHARMACHEMIE B.V. (NL) 1999-08-04 EP disclosed
EP-0933360-A1 Synthesis of new beta-lactams PHARMACHEMIE B.V. (NL) 1999-08-04 EP disclosed