SCHEMBL29065552

SCHEMBL29065552

NC(=O)OC(CO)CC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.36
▸ SLC1A3 P43003 2/20 0.34
▸ SLC1A2 P43004 2/20 0.34
▸ SLC1A1 P43005 2/20 0.34
▸ CTSK P43235 5/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ ANPEP P15144 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ EPHX1 P07099 1/20 0.31

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
SCHEMBL29068108 0.92 ANPEP (0.33) ALOX5SLC1A3SLC1A2SLC1A1CTSK
SCHEMBL29068106 0.92 ANPEP (0.33) ALOX5SLC1A3SLC1A2SLC1A1CTSK
SCHEMBL28821271 0.86 ANPEP (0.30) ANPEP
SCHEMBL28821269 0.86 ANPEP (0.30) ANPEP
SCHEMBL9219383 0.81 ANPEP (0.38) ANPEP
SCHEMBL29067935 0.77 ANPEP (0.33) ALOX5SLC1A3SLC1A2SLC1A1CTSK
SCHEMBL29067937 0.77 ANPEP (0.33) ALOX5SLC1A3SLC1A2SLC1A1CTSK
SCHEMBL2480097 0.75 — —
SCHEMBL19385501 0.74 CTSK (0.42) CTSKCTSLCTSBEPHX1
SCHEMBL28376567 0.73 SLC1A3 (0.37) ALOX5SLC1A3SLC1A2SLC1A1CTSK

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
CN-111171047-B Fused dihydro-4H-pyrazolo [5,1-C ] [1,4] oxazinyl compounds for the treatment of CNS disorders 赛诺维信制药公司 2023-06-23 — — CN disclosed
Send feedback