SCHEMBL23891780

SCHEMBL23891780

CCC(=O)CCC(NC(=O)OC(C)(C)C)C1CCC(C)(F)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.35
KMT2A Q03164 2/20 0.34
CTSS P25774 3/20 0.33
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CTSL P07711 1/20 0.32
PLG P00747 1/20 0.31

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
SCHEMBL23878305 0.92 KMT2A (0.37) CTSKKMT2ACTSSHDAC4HDAC1
SCHEMBL22039736 0.92 KMT2A (0.37) CTSKKMT2ACTSSHDAC4HDAC1
SCHEMBL23891762 0.88 CTSK (0.34) CTSKKMT2ACTSSHDAC4HDAC1
SCHEMBL23878337 0.80 CA1 (0.37) CTSKKMT2ACTSSHDAC4HDAC1
SCHEMBL22039489 0.80 CA1 (0.37) CTSKKMT2ACTSSHDAC4HDAC1
SCHEMBL25321261 0.74 CTSK (0.42) CTSKKMT2ACTSSHDAC4HDAC1
SCHEMBL25321256 0.74 CTSK (0.42) CTSKKMT2ACTSSHDAC4HDAC1
SCHEMBL30953384 0.74 AAK1 (0.39) CTSKKMT2ACTSSCA1CA2
SCHEMBL31094703 0.74 AAK1 (0.39) CTSKKMT2ACTSSCA1CA2
SCHEMBL28027174 0.74 P2RX7 (0.44) CTSKKMT2ACTSSHDAC4HDAC1

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-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed