SCHEMBL4753942

SCHEMBL4753942

CC(C)CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SRR Q9GZT4 1/20 0.36
LMNA P02545 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL8108093 1.00 MAPT (0.39) MAPTNPSR1POLBRECQLALDH1A1
SCHEMBL1295811 0.85 SMN1; SMN2 (0.42) NPSR1ALDH1A1SRRLMNA
SCHEMBL1929736 0.85 SMN1; SMN2 (0.42) NPSR1ALDH1A1SRRLMNA
SCHEMBL5970585 0.85 SMN1; SMN2 (0.42) NPSR1ALDH1A1SRRLMNA
SCHEMBL5282712 0.84 MAPT (0.39) MAPTALDH1A1SRR
SCHEMBL6686840 0.83 MAPT (0.37) MAPTNPSR1POLBRECQLALDH1A1
SCHEMBL5970973 0.82 PPARG (0.47) POLBALDH1A1SRR
SCHEMBL31647804 0.81 FOLH1 (0.39) POLBALDH1A1MAPK1SRR
SCHEMBL17027649 0.80 PPARG (0.43) MAPTPOLBALDH1A1MAPK1KMT2A
SCHEMBL1927300 0.80 KMT2A (0.41) MAPK1KMT2ALMNAATM

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