SCHEMBL23879299

SCHEMBL23879299

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
CTSS P25774 6/20 0.49
PPARA Q07869 7/20 0.47
PPARG P37231 6/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
ACE P12821 1/20 0.46
PPARD Q03181 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL18980653 1.00 CTSK (0.49) CTSKCTSSPPARAPPARGCTSL
SCHEMBL66303 0.87 CTSK (0.51) CTSKCTSSPPARAPPARGCTSL
SCHEMBL1360500 0.87 CTSK (0.51) CTSKCTSSPPARAPPARGCTSL
SCHEMBL66302 0.87 CTSK (0.51) CTSKCTSSPPARAPPARGCTSL
SCHEMBL17203118 0.86 CTSK (0.49) CTSKCTSSPPARAPPARGCTSL
SCHEMBL17203119 0.86 CTSK (0.49) CTSKCTSSPPARAPPARGCTSL
SCHEMBL15240366 0.84 PPARA (0.49) CTSKCTSSPPARAPPARGCTSL
SCHEMBL355405 0.84 CTSS (0.48) CTSKCTSSPPARAPPARGCTSL
SCHEMBL18614278 0.84 CTSS (0.48) CTSKCTSSPPARAPPARGCTSL
SCHEMBL1146321 0.84 PPARA (0.49) CTSKCTSSPPARAPPARGCTSL

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
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed