SCHEMBL9834933

SCHEMBL9834933

C=C1C[C@@H](C2OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]2CC2CCCCC2)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31
RABGGTB P53611 1/20 0.30
RABGGTA Q92696 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
SCHEMBL7293841 1.00 MEN1 (0.32) MEN1KMT2AKDM4EPKMBACE1
SCHEMBL7293845 1.00 MEN1 (0.32) MEN1KMT2AKDM4EPKMBACE1
SCHEMBL7293850 1.00 MEN1 (0.32) MEN1KMT2AKDM4EPKMBACE1
SCHEMBL10528950 0.84 SPHK1 (0.35) MEN1KMT2ABACE1CTSDRABGGTB
SCHEMBL10591597 0.84 BACE1 (0.31) BACE1CTSD
SCHEMBL10591602 0.84 BACE1 (0.31) BACE1CTSD
SCHEMBL10591603 0.84 BACE1 (0.31) BACE1CTSD
SCHEMBL7293176 0.83 ACHE (0.32) BACE1CTSD
SCHEMBL7293173 0.83 ACHE (0.32) BACE1CTSD
SCHEMBL7293170 0.83 ACHE (0.32) BACE1CTSD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed