SCHEMBL7326554

SCHEMBL7326554

CCCC[C@H](N)C(=O)OC(=O)[C@@H](N)CCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
DPP7 Q9UHL4 2/20 0.42
SLC15A1 P46059 1/20 0.42
DDAH1 O94760 3/20 0.41
NOD1 Q9Y239 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
NOS1 P29475 2/20 0.38
METAP1 P53582 1/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6445484 0.89 DPP7 (0.50) DPP7SLC15A1CA1CA2SLC1A3
SCHEMBL21114423 0.89 DPP7 (0.50) DPP7SLC15A1CA1CA2SLC1A3
SCHEMBL5497695 0.89 DPP7 (0.50) DPP7SLC15A1CA1CA2SLC1A3
SCHEMBL28313344 0.87 ALOX15 (0.60) KMT2AALOX15BLMPMP22SLC1A3
SCHEMBL711607 0.87 ALOX15 (0.60) KMT2AALOX15BLMPMP22SLC1A3
SCHEMBL9522029 0.86 DPP7 (0.42) DPP7SLC15A1DDAH1NOD1CA1
SCHEMBL9665984 0.85 DGKA (0.44) KMT2AALOX15BLMPMP22CYP3A4
SCHEMBL14486146 0.84 BLM (0.48) KMT2AALOX15BLMPMP22DPP7
SCHEMBL5548781 0.83 DGKA (0.47) KMT2AALOX15BLMPMP22CYP3A4
SCHEMBL6940812 0.83 DGKA (0.47) KMT2AALOX15BLMPMP22CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815856-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-01-07 EP disclosed
EP-0813867-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1997-12-29 EP disclosed
EP-0813868-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1997-12-29 EP disclosed
EP-0735019-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1996-10-02 EP disclosed
EP-0731088-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1996-09-11 EP disclosed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed