SCHEMBL31362545

SCHEMBL31362545

CC(C)(C)OC(=O)N[C@@H](CO)CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
CTSK P43235 6/20 0.40
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CTSS P25774 3/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL30096643 0.96 ATM (0.43) ATMHDAC4HDAC1CTSKCTSS
SCHEMBL28523987 0.96 ATM (0.43) ATMHDAC4HDAC1CTSKCTSS
SCHEMBL31028245 0.96 ATM (0.43) ATMHDAC4HDAC1CTSKCTSS
SCHEMBL28523692 0.91 ATM (0.45) ATMCTSKCTSSCTSLCTSB
SCHEMBL30096601 0.91 ATM (0.45) ATMCTSKCTSSCTSLCTSB
SCHEMBL31362303 0.87 ATM (0.42) ATMCTSKCTSSCTSLCTSB
SCHEMBL31362373 0.86 PPARA (0.41) ATMCTSKCTSSCTSLCTSB
SCHEMBL20562067 0.86 ALDH1A1 (0.50) HDAC4HDAC1CTSKHDAC3HDAC7
SCHEMBL20562065 0.86 ALDH1A1 (0.50) HDAC4HDAC1CTSKHDAC3HDAC7
SCHEMBL31028265 0.85 PPARA (0.42) ATMCTSKCTSSCTSLCTSB

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
WO-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 WO disclosed