SCHEMBL10798976

SCHEMBL10798976

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.47
REN P00797 3/20 0.44
FAP Q12884 2/20 0.44
PREP P48147 2/20 0.44
DPP4 P27487 1/20 0.44
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.42
LTA4H P09960 1/20 0.42
MAPT P10636 1/20 0.42
PEPD P12955 1/20 0.42
ALOX15 P16050 1/20 0.42
PTGS1 P23219 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42
HRH1 P35367 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL10799358 0.86 ACE (0.54) ACERENLMNAHSD17B10CYP2C19
SCHEMBL28913603 0.83 FAP (0.61) ACERENFAPPREPDPP4
SCHEMBL10797994 0.79 ACE (0.53) ACERENLMNAHSD17B10CYP2C19
SCHEMBL13246638 0.79 ACE (0.53) ACEREN
SCHEMBL15756757 0.79 ACE (0.53) ACEREN
SCHEMBL10763041 0.78 REN (0.53) ACERENLMNAHSD17B10KDM4E
SCHEMBL17202450 0.78 ACE (0.49) ACERENFAPPREPDPP4
SCHEMBL11413122 0.77 ACE (0.56) ACERENLMNAHSD17B10CYP2C19
SCHEMBL7376055 0.77 ACE (0.56) ACERENLMNAHSD17B10CYP2C19
SCHEMBL29363134 0.77 ACE (0.52) ACERENPREPLMNAHSD17B10

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