SCHEMBL8920496

SCHEMBL8920496

C[C@H](CCN(CCCCNC(=O)OCC(=O)NCCCCCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KLK7 P49862 2/20 0.38
KLK5 Q9Y337 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
APP P05067 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
RECQL P46063 1/20 0.36
PAX8 Q06710 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MAPK1 P28482 1/20 0.35
SIRT5 Q9NXA8 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
SCHEMBL8921657 1.00 MAPT (0.41) MAPTMEN1KMT2AKLK7KLK5
SCHEMBL8919472 1.00 MAPT (0.41) MAPTMEN1KMT2AKLK7KLK5
SCHEMBL8920834 0.93 APP (0.39) MAPTMEN1KMT2AL3MBTL1APP
SCHEMBL8921550 0.93 APP (0.39) MAPTMEN1KMT2AL3MBTL1APP
SCHEMBL8920849 0.93 APP (0.39) MAPTMEN1KMT2AL3MBTL1APP
SCHEMBL8921553 0.93 APP (0.39) MAPTMEN1KMT2AL3MBTL1APP
SCHEMBL8921535 0.93 APP (0.39) MAPTMEN1KMT2AL3MBTL1APP
SCHEMBL8921588 0.91 CTSK (0.41) MAPTMEN1KMT2AL3MBTL1APP
SCHEMBL8921597 0.91 CTSK (0.41) MAPTMEN1KMT2AL3MBTL1APP
SCHEMBL8921748 0.91 CTSK (0.41) MAPTMEN1KMT2AL3MBTL1APP

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
US-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US disclosed