SCHEMBL9832565

SCHEMBL9832565

C=C(C(=O)NCC(C)C)C(O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.53
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40

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
SCHEMBL9832609 0.84 REN (0.71) RENCTSSCTSK
SCHEMBL6448979 0.81 CTSS (0.56) RENCTSSCTSKCTSDCTSE
SCHEMBL9848334 0.81 CTSS (0.56) RENCTSSCTSKCTSDCTSE
SCHEMBL8536013 0.81 CTSS (0.56) RENCTSSCTSKCTSDCTSE
SCHEMBL5709574 0.80 CTSS (0.53) RENCTSSCTSKCTSDCTSE
SCHEMBL9831856 0.79 CTSS (0.50) RENCTSSCTSKCTSDCTSE
SCHEMBL7265417 0.79 CTSS (0.52) RENCTSSCTSKCTSDCTSE
SCHEMBL7266599 0.78 REN (0.58) RENCTSSCTSK
SCHEMBL7272241 0.78 REN (0.58) RENCTSSCTSK
SCHEMBL6696371 0.78 REN (0.58) 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