SCHEMBL7433661

SCHEMBL7433661

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.55
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL7433655 1.00 REN (0.55) RENCTSSCTSK
SCHEMBL7431241 0.88 REN (0.57) REN
SCHEMBL7431245 0.88 REN (0.57) REN
SCHEMBL8462589 0.88 REN (0.57) REN
SCHEMBL8458792 0.88 REN (0.57) REN
SCHEMBL7431276 0.86 REN (0.44) RENCTSSCTSK
SCHEMBL7431278 0.86 REN (0.44) RENCTSSCTSK
SCHEMBL8460817 0.85 REN (0.59) REN
SCHEMBL8460143 0.85 REN (0.59) REN
SCHEMBL8894934 0.84 REN (0.54) RENCTSSCTSK

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-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed