SCHEMBL8303315

SCHEMBL8303315

CC(=O)OCC1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
ACE2 Q9BYF1 3/20 0.52
FKBP1A P62942 2/20 0.51
PREP P48147 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL15607552 0.96 ACE2 (0.55) CTSKACE2PREPALDH1A1
SCHEMBL14646609 0.86 NPC1 (0.60) ACE2FKBP1APREPTMEM97SIGMAR1
SCHEMBL13198885 0.86 NPC1 (0.60) ACE2FKBP1APREPTMEM97SIGMAR1
SCHEMBL13661115 0.85 SMN1; SMN2 (0.52) FKBP1ATMEM97SIGMAR1
SCHEMBL13994810 0.85 PREP (0.57) ACE2PREPALDH1A1
SCHEMBL791439 0.85 PREP (0.57) ACE2PREPALDH1A1
SCHEMBL3604619 0.85 FKBP1A (0.51) CTSKCTSBCTSSACE2FKBP1A
SCHEMBL3605585 0.85 SPHK2 (0.54) ACE2FKBP1APREPTMEM97SIGMAR1
SCHEMBL1190565 0.85 SPHK2 (0.54) ACE2FKBP1APREPTMEM97SIGMAR1
SCHEMBL80752 0.85 SPHK2 (0.54) ACE2FKBP1APREPTMEM97SIGMAR1

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-0614986-B1 Enzymatic racemate cleavage of 2-pipéridine alkylcarboxylates SYNTHELABO (FR) 1999-07-21 EP disclosed