SCHEMBL8920576

SCHEMBL8920576

C[C@H](CCN(CCCC#N)Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.50
CTSK P43235 11/20 0.50
CTSB P07858 6/20 0.49
CTSL P07711 4/20 0.49
AKT1 P31749 2/20 0.45

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
SCHEMBL8920572 1.00 CTSS (0.50) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8921589 0.86 AKT1 (0.46) CTSKAKT1
SCHEMBL8920403 0.86 AKT1 (0.46) CTSKAKT1
SCHEMBL8923100 0.86 AKT1 (0.46) CTSKAKT1
SCHEMBL8920449 0.83 CTSK (0.47) CTSSCTSKAKT1
SCHEMBL24326687 0.81 AKT1 (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8921583 0.81 MAPT (0.48) CTSSCTSKAKT1
SCHEMBL8921567 0.80 SMN1; SMN2 (0.47) CTSSCTSKAKT1
SCHEMBL13426172 0.79 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL25355010 0.78 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1

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