SCHEMBL31649231

SCHEMBL31649231

CC(C)(C)OC(=O)N[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.45
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.40
▸ CMA1 P23946 9/20 0.40
▸ CTRC Q99895 2/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 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
SCHEMBL31649055 0.91 ACE (0.46) ACEF2PRSS1NPC1RAB9A
SCHEMBL31649422 0.83 DPP7 (0.45) ACEF2PRSS1NPC1RAB9A
SCHEMBL31649212 0.80 ACE (0.47) ACENPC1RAB9ASMN1; SMN2ITGB3
SCHEMBL31649340 0.79 TACR1 (0.41) KMT2AMAPK1
SCHEMBL31228403 0.79 PPARA (0.49) ACEITGB3ITGA2B
SCHEMBL31306238 0.79 PPARA (0.49) ACEITGB3ITGA2B
SCHEMBL31649159 0.79 ACE (0.44) ACEF2PRSS1NPC1RAB9A
SCHEMBL31649025 0.78 DPP7 (0.41) F2PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL31526993 0.77 KLK5 (0.46) ACEKLK5
SCHEMBL31649265 0.76 ACE (0.45) ACEF2PRSS1NPC1RAB9A

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-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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