SCHEMBL8920403

SCHEMBL8920403

CC(CCN(CCCCN)Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.46
CTSK P43235 3/20 0.42
KLK5 Q9Y337 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL8923100 1.00 AKT1 (0.46) AKT1CTSKKLK5ATM
SCHEMBL8921589 1.00 AKT1 (0.46) AKT1CTSKKLK5ATM
SCHEMBL27489595 0.91 CTSK (0.46) CTSKATM
SCHEMBL8920576 0.86 CTSS (0.50) AKT1CTSK
SCHEMBL8920572 0.86 CTSS (0.50) AKT1CTSK
SCHEMBL8920449 0.86 CTSK (0.47) AKT1CTSK
SCHEMBL8398725 0.85 HDAC3 (0.45)
SCHEMBL8921583 0.83 MAPT (0.48) AKT1CTSKKLK5
SCHEMBL8921567 0.83 SMN1; SMN2 (0.47) AKT1CTSK
SCHEMBL24326687 0.80 AKT1 (0.47) AKT1CTSKKLK5

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
US-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US disclosed