SCHEMBL10447998

SCHEMBL10447998

CCC(C)[C@H](NC(=O)C(CC(O)C(N)CC(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.42
▸ CTSD P07339 9/20 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
SCHEMBL10447999 1.00 REN (0.42) RENCTSD
SCHEMBL10431112 0.92 REN (0.48) RENCTSD
SCHEMBL7319508 0.85 CTSD (0.37) RENCTSD
SCHEMBL7319509 0.85 CTSD (0.37) RENCTSD
SCHEMBL7355301 0.84 REN (0.44) REN
SCHEMBL7355295 0.84 REN (0.44) REN
SCHEMBL10448000 0.83 REN (0.57) REN
SCHEMBL10448117 0.79 REN (0.60) REN
SCHEMBL10448496 0.78 REN (0.47) RENCTSD
Hydrochloric Acid SCHEMBL10448581 0.77 ALDH1A1 (0.36) —

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-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 — — EP disclosed
Send feedback