SCHEMBL4450475

SCHEMBL4450475

CC(C)[C@H](N)C(=O)OC[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1COC(=O)[C@@H](N)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
LMNA P02545 3/20 0.46
PDE3A Q14432 3/20 0.46
CACNA1F O60840 2/20 0.46
ALB P02768 2/20 0.46
MAPT P10636 2/20 0.46
CACNA1D Q01668 2/20 0.46
CACNA1S Q13698 2/20 0.46
CACNA1C Q13936 2/20 0.46
POLG P54098 2/20 0.44
P2RY2 P41231 3/20 0.42
P2RY4 P51582 3/20 0.42
P2RY6 Q15077 2/20 0.42
THRB P10828 1/20 0.40
MTOR P42345 1/20 0.40
MDM2 Q00987 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
PDE4D Q08499 1/20 0.39
SLC29A1 Q99808 1/20 0.39

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
SCHEMBL4450483 1.00 POLB (0.48) POLBLMNAPDE3ACACNA1FALB
SCHEMBL3684934 0.95 LMNA (0.48) POLBLMNAPDE3ACACNA1FALB
SCHEMBL13036649 0.95 LMNA (0.48) POLBLMNAPDE3ACACNA1FALB
SCHEMBL3684936 0.95 LMNA (0.48) POLBLMNAPDE3ACACNA1FALB
SCHEMBL13036651 0.94 LMNA (0.49) POLBLMNAPDE3ACACNA1FALB
SCHEMBL13036644 0.94 POLB (0.47) POLBLMNAPDE3ACACNA1FALB
SCHEMBL13036662 0.93 POLB (0.45) POLBLMNAPDE3ACACNA1FALB
SCHEMBL4450494 0.92 POLB (0.45) POLBLMNAPDE3ACACNA1FALB
SCHEMBL4450498 0.92 POLB (0.45) POLBLMNAPDE3ACACNA1FALB
SCHEMBL13169192 0.91 POLB (0.58) POLBLMNAPDE3ACACNA1FALB

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-1835916-B1 COMPOUNDS USEFUL IN THE TREATMENT OF HIV MEDIVIR AB (SE) 2009-04-01 EP disclosed