SCHEMBL8990124

SCHEMBL8990124

COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TPSAB1 Q15661 2/20 0.49
TPSD1 Q9BZJ3 2/20 0.49
TPSG1 Q9NRR2 2/20 0.49
DPP8 Q6V1X1 3/20 0.46
DPP7 Q9UHL4 3/20 0.46
FOLH1 Q04609 3/20 0.46
ANPEP P15144 1/20 0.45
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
DPP4 P27487 2/20 0.44
DPP9 Q86TI2 2/20 0.44
SYK P43405 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9073497 0.88 TPSAB1 (0.54) MAPTTPSAB1TPSD1TPSG1DPP8
SCHEMBL7431225 0.88 FOLH1 (0.50) MAPTTPSAB1TPSD1TPSG1DPP8
SCHEMBL11782102 0.87 TPSAB1 (0.52) MAPTTPSAB1TPSD1TPSG1DPP8
SCHEMBL1328867 0.84 MAPT (0.49) MAPTTPSAB1TPSD1TPSG1DPP8
SCHEMBL27892485 0.83 NPY4R (0.42) DPP8DPP7FOLH1ANPEPDPP4
SCHEMBL5490556 0.82 MAPT (0.59) MAPTDPP8DPP7ANPEPKLK7
SCHEMBL7979181 0.82 MAPT (0.59) MAPTDPP8DPP7ANPEPKLK7
SCHEMBL20168169 0.82 MAPT (0.59) MAPTDPP8DPP7ANPEPKLK7
Hydrochloric Acid SCHEMBL29401553 0.81 MAPT (0.58) MAPTDPP8DPP7ANPEPKLK7
SCHEMBL13289727 0.81 MAPT (0.47) MAPTTPSAB1TPSD1TPSG1DPP8

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
EP-0721447-A1 ANTHRACENE DERIVATIVES FOR USE AS ANTICANCER AGENT OR DYE NAPIER UNIVERSITY VENTURES LIMITED (GB) 1996-07-17 EP disclosed