SCHEMBL31056015

SCHEMBL31056015

COC(=O)c1cc(C2OCCO2)c2c(c1)n(C)c(=O)n2COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
KLKB1 P03952 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
MCL1 Q07820 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL31055961 0.90 NPC1 (0.37) NPC1KLKB1
SCHEMBL31056121 0.83 NPC1 (0.39) NPC1ADORA2AADORA2BNPSR1
SCHEMBL31055924 0.81 NPC1 (0.38) NPC1KLKB1ADORA2AADORA2BATM
SCHEMBL31638716 0.68 NPC1 (0.41) NPC1KLKB1ADORA2AADORA2BATM
SCHEMBL13015576 0.68 NPC1 (0.42) NPC1
SCHEMBL31056707 0.67 HCAR3 (0.38) NPC1KLKB1
SCHEMBL31056658 0.67 KLKB1 (0.34) NPC1KLKB1MCL1
SCHEMBL31056438 0.67 KLKB1 (0.32) NPC1KLKB1
SCHEMBL31056189 0.67 NPC1 (0.32) NPC1KLKB1
SCHEMBL25338747 0.65 NPC1 (0.38) NPC1KLKB1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed