SCHEMBL8897716

SCHEMBL8897716

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

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL8894255 0.88
SCHEMBL8893665 0.85 ALDH1A1 (0.30)
SCHEMBL8707608 0.83
SCHEMBL8894248 0.78 ALDH1A1 (0.32) CTSK
SCHEMBL8893788 0.78 CTSS (0.40) CTSSCTSK
SCHEMBL8893949 0.77 ABCB1 (0.38) CTSSCTSK
SCHEMBL8714486 0.77 ABCB1 (0.38) CTSSCTSK
SCHEMBL8894315 0.76
SCHEMBL8894229 0.76
SCHEMBL8896038 0.74 ALDH1A1 (0.34) CTSS

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-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed