SCHEMBL8094046

SCHEMBL8094046

CC(C)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.40
FOLH1 Q04609 6/20 0.36
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
CACNA2D1 P54289 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
CPA1 P15085 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
SCHEMBL4751639 1.00 LAP3 (0.40) LAP3FOLH1RNPEPSLC7A5CACNA2D1
SCHEMBL21052114 0.84 LAP3 (0.33) LAP3SLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL21052113 0.84 LAP3 (0.33) LAP3SLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL11200302 0.82 POLB (0.32)
SCHEMBL25216571 0.81 OR51E2 (0.30)
SCHEMBL25270283 0.81 OR51E2 (0.30)
SCHEMBL4995291 0.81 SMN1; SMN2 (0.39)
SCHEMBL3302336 0.81 SMN1; SMN2 (0.39)
SCHEMBL4600025 0.79 TDP1 (0.33)
SCHEMBL31751606 0.79 TDP1 (0.33)

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