SCHEMBL8723190

SCHEMBL8723190

CC(N)C(C)(C)N.C[C@H](NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 2/20 0.39
CTSK P43235 9/20 0.38
CTSS P25774 3/20 0.38
GLS O94925 1/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
PREP P48147 1/20 0.36

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
SCHEMBL1888283 0.91 CA1 (0.50) CA1CA2CA7CA12CA14
SCHEMBL2318522 0.91 CA1 (0.50) CA1CA2CA7CA12CA14
SCHEMBL1888284 0.91 CA1 (0.50) CA1CA2CA7CA12CA14
Hydrochloric Acid SCHEMBL3606870 0.89 CA1 (0.49) CA1CA2CA7CA12CA14
SCHEMBL4327755 0.84 KMT2A (0.46) CA1CA2CA7CA12CA14
SCHEMBL9136842 0.84 KMT2A (0.46) CA1CA2CA7CA12CA14
SCHEMBL4327766 0.84 KMT2A (0.46) CA1CA2CA7CA12CA14
SCHEMBL13804888 0.79 CA1 (0.42) CA1CA2CA7CA12CA14
SCHEMBL875372 0.77 CA1 (0.47) CA1CA2CA7CA12CA14
SCHEMBL29395538 0.77 CA12 (0.47) CA1CA2CA7CA12CA14

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-0801655-B1 BASIC PROLINE-AMIDE DERIVATIVES OF GE 2270 AND GE 2270-LIKE ANTIBIOTICS BIOSEARCH ITALIA SPA (IT) 1998-04-15 EP disclosed