SCHEMBL4751609

SCHEMBL4751609

CCC(C)C(OC(=O)C(C)OC(=O)C(NC(=O)OCc1ccccc1)C(C)OC(=O)C(CC(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CTSK P43235 4/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4751711 0.94 SYK (0.41) CTSLCTSBCTSSHSP90AA1HSP90AB1
SCHEMBL4753954 0.92 CTSL (0.41) CTSLCTSBCTSSHSP90AA1HSP90AB1
SCHEMBL4753917 0.85 SYK (0.40) CTSLCTSBCTSSHSP90AA1HSP90AB1
SCHEMBL4751604 0.85 CTSK (0.45) CTSLCTSBCTSSCTSK
SCHEMBL8104698 0.84 CTSL (0.46) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL8111238 0.84 CTSL (0.41) CTSLCTSBCTSSHSP90AA1HSP90AB1
SCHEMBL4753468 0.84 SYK (0.46) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL4753418 0.80 CTSK (0.39) CTSLCTSBCTSSHSP90AA1HSP90AB1
SCHEMBL4753911 0.75 CTSK (0.40) CTSLCTSBCTSSHSP90AA1HSP90AB1
SCHEMBL4753912 0.75 CTSK (0.39) CTSLCTSBCTSSHSP90AA1HSP90AB1

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