SCHEMBL10364213

SCHEMBL10364213

COC(=O)[C@H](CC(C)C)NC(=O)Nc1cccc(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.61
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL74870 0.81 ANPEP (0.81) ANPEPCA12CA1CA2CA9
SCHEMBL74871 0.81 ANPEP (0.81) ANPEPCA12CA1CA2CA9
SCHEMBL10964500 0.80 KDM4E (0.70) ANPEPCA12CA1CA2CA9
SCHEMBL10964506 0.80 KDM4E (0.70) ANPEPCA12CA1CA2CA9
SCHEMBL75067 0.78 POLB (0.60) ANPEPCA12CA1CA2CA9
SCHEMBL75068 0.78 POLB (0.60) ANPEPCA12CA1CA2CA9
SCHEMBL10748636 0.77 GAA (0.55) ANPEPHTT
SCHEMBL75549 0.77 ANPEP (0.58) ANPEPCA12CA1CA2CA9
SCHEMBL75550 0.77 ANPEP (0.58) ANPEPCA12CA1CA2CA9
SCHEMBL74974 0.76 ANPEP (0.62) ANPEPCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 EP disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed