SCHEMBL7018374

SCHEMBL7018374

COc1ccc(C[C@H](N)C(=O)OC(C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.43
NNMT P40261 1/20 0.42
KLKB1 P03952 1/20 0.39
SLC7A5 Q01650 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 4/20 0.37
AGTR1 P30556 3/20 0.37
RAB9A P51151 3/20 0.37
MDM2 Q00987 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 3/20 0.37
PKM P14618 3/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL18097901 0.87 MEN1 (0.41) ACACBNNMTKLKB1MAPTMEN1
SCHEMBL7081683 0.86 ACACB (0.49) ACACBNNMTKLKB1MKNK1MKNK2
SCHEMBL3604889 0.86 ACACB (0.49) ACACBNNMTKLKB1MKNK1MKNK2
SCHEMBL27805611 0.85 SLC7A5 (0.40) SLC7A5MAPTKMT2ALMNAPOLB
SCHEMBL4072789 0.85 SLC7A5 (0.40) SLC7A5MAPTKMT2ALMNAPOLB
SCHEMBL7945973 0.84 ACACB (0.44) ACACBNNMTKLKB1MKNK1MKNK2
SCHEMBL3861143 0.84 ACACB (0.44) ACACBNNMTKLKB1MKNK1MKNK2
SCHEMBL4601596 0.82 HSD17B10 (0.53) ACACBNNMTKLKB1SLC7A5MEN1
SCHEMBL4601600 0.82 HSD17B10 (0.53) ACACBNNMTKLKB1SLC7A5MEN1
SCHEMBL7518497 0.79 LDHA (0.53) ACACBSLC7A5SMN1; SMN2POLBLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230240-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOLIDINONE ALPHA V INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-1230240-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOLIDINONE ALPHA V INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 2002-08-14 EP claimed
WO-2001034602-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOLIDINONE ALPHA V INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 2001-05-17 WO claimed
EP-1230240-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOLIDINONE ALPHA V INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-1230240-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOLIDINONE ALPHA V INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 2002-08-14 EP disclosed
US-6407241-B1 REACTING THE CORRESPONDING WITH AMINE AND PHOSGENE; CYCLIZATION; THERAPY FOR BONE DISORDERS; ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2002-06-18 US disclosed
WO-2001034602-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOLIDINONE ALPHA V INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 2001-05-17 WO disclosed