SCHEMBL27489595

SCHEMBL27489595

CC(CCN(CCCCN)CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.46
CTSS P25774 1/20 0.45
ATM Q13315 1/20 0.41

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
SCHEMBL8921589 0.91 AKT1 (0.46) CTSKATM
SCHEMBL8923100 0.91 AKT1 (0.46) CTSKATM
SCHEMBL8920403 0.91 AKT1 (0.46) CTSKATM
SCHEMBL27463518 0.86 HDAC1 (0.46)
SCHEMBL27962256 0.79 CTSK (0.56) CTSKCTSSATM
SCHEMBL10981741 0.79 CTSK (0.62) CTSKCTSSATM
SCHEMBL28733236 0.79 CTSK (0.62) CTSKCTSSATM
SCHEMBL10974978 0.79 CTSK (0.62) CTSKCTSSATM
SCHEMBL27962221 0.77 CTSK (0.54) CTSKCTSSATM
SCHEMBL8920576 0.77 CTSS (0.50) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148378-C 15-deoxyspergualin analogs, their method of preparation and their use in therapeutics �Ҵ���˾ 2004-05-05 CN disclosed
CN-1119191-A 15-deoxyspergualin analogs, their method of preparation and their use in therapeutics FOURNIER IND & SANTE (FR) 1996-03-27 CN disclosed