SCHEMBL29295668

SCHEMBL29295668

COC1CCCCC[C@@H](COCc2ccccc2)OCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
MGLL Q99685 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL1564320 0.85 LMNA (0.44) LMNAHRH4HRH3CTSLCTSB
SCHEMBL1565954 0.85 LMNA (0.44) LMNAHRH4HRH3CTSLCTSB
SCHEMBL16138311 0.83 MGLL (0.49) LMNAMGLL
SCHEMBL16138316 0.83 MGLL (0.49) LMNAMGLL
SCHEMBL16138331 0.83 MGLL (0.49) LMNAMGLL
SCHEMBL19559233 0.83 LMNA (0.54) LMNAHRH4HRH3CTSLCTSB
SCHEMBL10420228 0.83 LMNA (0.54) LMNAHRH4HRH3CTSLCTSB
SCHEMBL5660476 0.82 LMNA (0.50) LMNAHRH4HRH3CYP1A2
SCHEMBL21283683 0.82 LMNA (0.50) LMNAHRH4HRH3CYP1A2
SCHEMBL25306201 0.79 LMNA (0.45) LMNAHRH4HRH3CTSLCTSB

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-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 WO disclosed