SCHEMBL9832609

SCHEMBL9832609

C=C(CC(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)NCC(C)C

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.71
CTSS P25774 1/20 0.45
CTSK P43235 1/20 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
SCHEMBL7387397 0.90 REN (0.60) RENCTSSCTSK
SCHEMBL9832565 0.84 REN (0.53) RENCTSSCTSK
SCHEMBL9830891 0.84 REN (0.54) RENCTSSCTSK
SCHEMBL9833450 0.83 REN (1.00) REN
SCHEMBL7332591 0.80 CTSS (0.49) RENCTSSCTSK
SCHEMBL7281729 0.80 REN (0.56) RENCTSSCTSK
SCHEMBL9831219 0.80 CTSS (0.54) RENCTSSCTSK
SCHEMBL9726146 0.80 CTSS (0.54) RENCTSSCTSK
SCHEMBL10386880 0.80 CTSS (0.54) RENCTSSCTSK
SCHEMBL7284721 0.80 CTSS (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed