SCHEMBL8711405

SCHEMBL8711405

CN[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)CCC(C)O)C(=O)CC(O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
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
SCHEMBL8708285 0.85 MAPT (0.30) ALDH1A1MAPT
SCHEMBL8708141 0.78 ALDH1A1 (0.36) ALDH1A1MAPTPOLBNPSR1TDP1
SCHEMBL8708108 0.77 KMT2A (0.39) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL9787804 0.76 CTSL (0.37) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL9101106 0.71 ACE (0.37)
SCHEMBL8894255 0.69
SCHEMBL8893379 0.67
SCHEMBL7475849 0.67 BACE1 (0.37)
SCHEMBL6224857 0.67 MAPT (0.48) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL7367580 0.67 MAPT (0.48) MEN1ALDH1A1MAPTKMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821222-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
US-5529984-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed