SCHEMBL22342115

SCHEMBL22342115

CC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPT P10636 6/20 0.35
RECQL P46063 3/20 0.35
XBP1 P17861 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL22342114 1.00 NPSR1 (0.36) NPSR1CA12CA14MAPTRECQL
SCHEMBL24796325 0.92 CA12 (0.40) NPSR1CA12CA14MAPTRECQL
SCHEMBL13645674 0.92 CA12 (0.40) NPSR1CA12CA14MAPTRECQL
SCHEMBL29918031 0.85 KMT2A (0.47) NPSR1CA12CA14MAPTRECQL
SCHEMBL29918107 0.85 KMT2A (0.47) NPSR1CA12CA14MAPTRECQL
SCHEMBL30698107 0.84 CTSS (0.40) CA12CA14CA1CA2CA7
SCHEMBL22843981 0.84 METAP2 (0.38) NPSR1CA12CA14MAPTRECQL
SCHEMBL13232021 0.84 DPP4 (0.40) NPSR1CA12CA14MAPTRECQL
SCHEMBL25177436 0.84 DPP4 (0.40) NPSR1CA12CA14MAPTRECQL
SCHEMBL25185287 0.84 DPP4 (0.40) NPSR1CA12CA14MAPTRECQL

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-3694921-A1 COMPOSITION CONTAINING A POLYMER AND AN ADDITIVE Ecole Polytechnique Fédérale de Lausanne (EPFL) EPFL-TTO (CH) 2020-08-19 EP disclosed