SCHEMBL4817322

SCHEMBL4817322

CCC(C)C(OC(=O)C(C)O)C(=O)NC(CC(C)C)C(=O)CC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.39
MME P08473 1/20 0.34
MMP3 P08254 2/20 0.33
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CAPN9 O14815 1/20 0.31

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
SCHEMBL8097451 1.00 BIRC2 (0.39) BIRC2MMEMMP3MMP2MMP9
SCHEMBL8112737 0.82 BIRC2 (0.34) BIRC2
SCHEMBL8097445 0.81 BIRC2 (0.33) BIRC2
SCHEMBL4751635 0.81 BIRC2 (0.33) BIRC2
SCHEMBL8107196 0.75 CTSK (0.47)
SCHEMBL8108089 0.73 BIRC2 (0.32) BIRC2
SCHEMBL4753412 0.71 ABCB1 (0.43)
SCHEMBL8108824 0.71 ABCB1 (0.43)
SCHEMBL24822552 0.65 BIRC2 (0.56) BIRC2MME
SCHEMBL8097553 0.64 CTSK (0.56)

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