SCHEMBL11546259

SCHEMBL11546259

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
ACE P12821 8/20 0.48
REN P00797 4/20 0.48
KDM4E B2RXH2 1/20 0.45
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
LTA4H P09960 1/20 0.45
MAPT P10636 1/20 0.45
PEPD P12955 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS1 P23219 1/20 0.45
HTR2A P28223 1/20 0.45
PTGS2 P35354 1/20 0.45
HRH1 P35367 1/20 0.45
THPO P40225 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL7380820 0.83 ACE (0.54) ACERENKDM4EF2LMNA
Water SCHEMBL5570208 0.82 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL11548591 0.80 ALDH1A1 (0.57) ACE
SCHEMBL11545173 0.77 ACE (0.50) RAB9AACERENKDM4EF2
SCHEMBL5742535 0.76 ACE (0.62) RAB9AACERENKDM4EF2
SCHEMBL15854285 0.76 ACE (0.62) RAB9AACERENKDM4EF2
SCHEMBL5742529 0.76 ACE (0.62) RAB9AACERENKDM4EF2
SCHEMBL21246655 0.75 ACE (0.60) RAB9AACERENKDM4EF2
SCHEMBL21246658 0.75 ACE (0.60) RAB9AACERENKDM4EF2
SCHEMBL11546811 0.75 ACE (0.58) RAB9AACERENKDM4EF2

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-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