SCHEMBL29548435

SCHEMBL29548435

CC(C)(C)OC(=O)NC(C(=O)[C@]1(C(=O)O)CC(O)CN1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.34
CTSS P25774 4/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CTSL P07711 2/20 0.31
KMT2A Q03164 2/20 0.31
PREP P48147 1/20 0.31
CYP2D6 P10635 1/20 0.31
CTSB P07858 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
IDO1 P14902 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
VHL P40337 1/20 0.30
ELOC Q15369 1/20 0.30
ELOB Q15370 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
SCHEMBL10519878 0.76 ARG1 (0.33)
SCHEMBL6860632 0.76 ARG1 (0.33)
SCHEMBL16759709 0.69 CHRM2 (0.31) KMT2AMEN1MAPK1
SCHEMBL7286719 0.68 ARG1 (0.42)
SCHEMBL90052 0.67 CA2 (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL83699 0.67 CA2 (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL57432 0.67 CA2 (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL6743171 0.67 CTSK (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL20732867 0.65 HDAC4 (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL28407302 0.65 HDAC4 (0.48) CTSKCTSSCA1CA2CA7

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-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 EP disclosed