SCHEMBL4751635

SCHEMBL4751635

CCC(C)C(OC(=O)C(C)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC(C)C)C(=O)CC(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.33
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8097445 1.00 BIRC2 (0.33) BIRC2POLBNPSR1TDP1
SCHEMBL4817322 0.81 BIRC2 (0.39) BIRC2
SCHEMBL8097451 0.81 BIRC2 (0.39) BIRC2
SCHEMBL8105219 0.80
SCHEMBL8107189 0.77 ABCB1 (0.33)
SCHEMBL4751607 0.77 ABCB1 (0.33)
SCHEMBL4753924 0.73 MME (0.30)
SCHEMBL8097443 0.73 MME (0.30)
SCHEMBL4753975 0.72 CTSS (0.32)
SCHEMBL22089530 0.70 MGAM (0.34)

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
WO-2008151306-A1 SYNTHESIS OF CYCLODEPSIPEPTIDE COMPOUNDS HAVING ANTINEOPLASTIC AND/OR ANTIMICROBIAL ACTIVITY ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-12-11 WO disclosed