SCHEMBL11399861

SCHEMBL11399861

CC(=O)SC(=O)CCNN1CCC[C@H]1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.36
REN P00797 4/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 1/20 0.34
LTA4H P09960 1/20 0.34
MAPT P10636 1/20 0.34
PEPD P12955 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2A P28223 1/20 0.34
PTGS2 P35354 1/20 0.34
HRH1 P35367 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28209840 0.81 ACE (0.45) ACERENLMNAHSD17B10CYP2C19
SCHEMBL5798199 0.78 ACE (0.43) ACERENLMNAHSD17B10CYP2C19
SCHEMBL28323878 0.77 ACE (0.40) ACERENLMNAHSD17B10CYP2C19
Water SCHEMBL11392377 0.77 ACE (0.37) ACERENLMNAHSD17B10CYP2C19
SCHEMBL27889361 0.74 ACE (0.44) ACERENLMNAHSD17B10CYP2C19
SCHEMBL22175770 0.71 ACE (0.41) ACERENLMNAHSD17B10CYP2C19
SCHEMBL2678393 0.71 ACE (0.41) ACERENLMNAHSD17B10CYP2C19
SCHEMBL10549071 0.70 KMT2A (0.38) ACERENLMNAHSD17B10CYP2C19
SCHEMBL19521446 0.70 ACE (0.39) ACERENLMNAHSD17B10CYP2C19
SCHEMBL19521447 0.70 ACE (0.39) ACERENLMNAHSD17B10CYP2C19

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
EP-0036713-A2 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-30 EP disclosed