SCHEMBL7443395

SCHEMBL7443395

COC(=O)C(SC)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.60
CTRB1 P17538 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
ACE2 Q9BYF1 3/20 0.51
CTSK P43235 1/20 0.50
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL7399280 0.85 PREP (0.63) PREPCTRB1NPSR1ACE2CTSK
SCHEMBL4977449 0.82 PREP (0.83) PREPCTRB1NPSR1ACE2ALDH1A1
SCHEMBL6696041 0.82 PREP (0.83) PREPCTRB1NPSR1ACE2ALDH1A1
SCHEMBL8272821 0.82 PREP (0.65) PREPCTRB1NPSR1ACE2KMT2A
SCHEMBL13532966 0.82 PREP (0.65) PREPCTRB1NPSR1ACE2KMT2A
SCHEMBL16419544 0.81 PREP (0.67) PREPCTRB1NPSR1ACE2ALDH1A1
SCHEMBL18296942 0.81 PREP (0.59) PREPCTRB1NPSR1ACE2CTSK
SCHEMBL7836712 0.81 PREP (0.64) PREPCTRB1NPSR1ACE2KMT2A
SCHEMBL9873735 0.81 PREP (0.64) PREPCTRB1NPSR1ACE2KMT2A
Hydrochloric Acid SCHEMBL2437118 0.81 PREP (0.64) PREPCTRB1NPSR1ACE2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891362-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-01-20 EP disclosed
WO-1997036903-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1997-10-09 WO disclosed