SCHEMBL7380841

SCHEMBL7380841

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.59
REN P00797 4/20 0.59
LMNA P02545 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
F2 P00734 1/20 0.59
LTA4H P09960 1/20 0.59
MAPT P10636 1/20 0.59
PEPD P12955 1/20 0.59
ALOX15 P16050 1/20 0.59
PTGS1 P23219 1/20 0.59
HTR2A P28223 1/20 0.59
PTGS2 P35354 1/20 0.59
HRH1 P35367 1/20 0.59
THPO P40225 1/20 0.59
PMP22 Q01453 1/20 0.59
ACE2 Q9BYF1 1/20 0.59
RAB9A P51151 1/20 0.54
CYP2C19 P33261 1/20 0.51

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
SCHEMBL5742535 0.87 ACE (0.62) ACERENLMNAHSD17B10KDM4E
SCHEMBL15854285 0.87 ACE (0.62) ACERENLMNAHSD17B10KDM4E
SCHEMBL5742529 0.87 ACE (0.62) ACERENLMNAHSD17B10KDM4E
SCHEMBL21246658 0.85 ACE (0.60) ACERENLMNAHSD17B10KDM4E
SCHEMBL21246655 0.85 ACE (0.60) ACERENLMNAHSD17B10KDM4E
SCHEMBL11382093 0.84 ACE (0.52) ACERENLMNAHSD17B10KDM4E
SCHEMBL11495416 0.84 ACE (0.50) ACERENLMNAHSD17B10KDM4E
SCHEMBL11581559 0.84 ACE (0.63) ACERENLMNAHSD17B10KDM4E
SCHEMBL11558594 0.83 ACE (0.66) ACERENLMNAHSD17B10KDM4E
SCHEMBL26213247 0.82 ACE (0.56) ACERENLMNAHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216209-A Tripeptide angiotensin converting enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1980-08-05 US disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 US disclosed