SCHEMBL10797994

SCHEMBL10797994

O=C(CS)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.53
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
REN P00797 2/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
F2 P00734 1/20 0.50
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.50
PEPD P12955 1/20 0.50
ALOX15 P16050 1/20 0.50
PTGS1 P23219 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
HRH1 P35367 1/20 0.50
THPO P40225 1/20 0.50
PMP22 Q01453 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
MVD P53602 2/20 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
SCHEMBL15756757 0.84 ACE (0.53) ACERENMVD
SCHEMBL13246638 0.84 ACE (0.53) ACERENMVD
SCHEMBL6936699 0.83 ACE (0.62) ACELMNAHSD17B10RENCYP2C19
SCHEMBL683102 0.83 ACE (0.62) ACELMNAHSD17B10RENCYP2C19
SCHEMBL29363134 0.83 ACE (0.52) ACELMNAHSD17B10RENCYP2C19
SCHEMBL28913603 0.83 FAP (0.61) ACELMNAHSD17B10RENCYP2C19
SCHEMBL30439118 0.82 ACE (0.50) ACERENMVD
SCHEMBL29613141 0.82 ACE (0.50) ACERENMVD
SCHEMBL29544133 0.82 ACE (0.50) ACERENMVD
SCHEMBL30605149 0.80 ACE (0.50) ACELMNAHSD17B10RENCYP2C19

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
US-4684660-A Mercaptoacyldepeptides E. R. SQUIBB & SONS, INC. (US) 1987-08-04 US disclosed