SCHEMBL11275765

SCHEMBL11275765

C[C@H](CSC(=S)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.56
ACE2 Q9BYF1 5/20 0.53
REN P00797 3/20 0.53
KDM4E B2RXH2 1/20 0.53
F2 P00734 1/20 0.53
LMNA P02545 1/20 0.53
LTA4H P09960 1/20 0.53
MAPT P10636 1/20 0.53
PEPD P12955 1/20 0.53
ALOX15 P16050 1/20 0.53
PTGS1 P23219 1/20 0.53
HTR2A P28223 1/20 0.53
PTGS2 P35354 1/20 0.53
HRH1 P35367 1/20 0.53
THPO P40225 1/20 0.53
PMP22 Q01453 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL11275762 1.00 ACE (0.56) ACEACE2RENKDM4EF2
SCHEMBL11278002 0.90 ACE (0.50) ACEACE2RENKDM4EF2
SCHEMBL11278006 0.90 ACE (0.50) ACEACE2RENKDM4EF2
SCHEMBL10954711 0.88 ACE (0.62) ACEACE2RENKDM4EF2
SCHEMBL10508293 0.88 ACE (0.62) ACEACE2RENKDM4EF2
SCHEMBL7378528 0.88 ACE (0.62) ACEACE2RENKDM4EF2
SCHEMBL11497741 0.85 ACE (0.61) ACEACE2
SCHEMBL11286625 0.84 ACE (0.58) ACEACE2
SCHEMBL11264792 0.84 ACE (0.48) ACEACE2RENKDM4EF2
SCHEMBL11264783 0.84 ACE (0.48) ACEACE2RENKDM4EF2

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
US-4331806-A Dithioacyldihydropyrazole carboxylic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1982-05-25 US disclosed
US-4288368-A Dithioacylproline derivatives E. R. SQUIBB & SONS, INC. (US) 1981-09-08 US disclosed