SCHEMBL8932640

SCHEMBL8932640

N#CCN1CC(O)CSC1=O.N#CCN1CC(SC(=O)c2ccccc2)CSC1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSK P43235 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL8932451 0.72 GAA (0.35)
SCHEMBL8820385 0.71 ACE (0.33) ALDH1A1
SCHEMBL8817390 0.68 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8932630 0.66 CHRNB2 (0.32) ALDH1A1
SCHEMBL8817416 0.65 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8817363 0.64 TNKS2 (0.41) ALDH1A1
SCHEMBL8820263 0.63 KDM4E (0.33) ALDH1A1
SCHEMBL8820211 0.63 ADRA1A (0.33) ALDH1A1
SCHEMBL8817341 0.61 ADORA3 (0.38) ALDH1A1
SCHEMBL8820260 0.61 USP2 (0.33) ALDH1A1

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-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed