SCHEMBL8023712

SCHEMBL8023712

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.58
REN P00797 4/20 0.58
LMNA P02545 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
F2 P00734 1/20 0.55
LTA4H P09960 1/20 0.55
MAPT P10636 1/20 0.55
PEPD P12955 1/20 0.55
ALOX15 P16050 1/20 0.55
PTGS1 P23219 1/20 0.55
HTR2A P28223 1/20 0.55
PTGS2 P35354 1/20 0.55
HRH1 P35367 1/20 0.55
THPO P40225 1/20 0.55
PMP22 Q01453 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
RAB9A P51151 1/20 0.50
CYP2C19 P33261 1/20 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
SCHEMBL6947053 1.00 ACE (0.58) ACERENLMNAHSD17B10KDM4E
SCHEMBL9422545 0.87 ACE (0.57) ACERENLMNAHSD17B10KDM4E
SCHEMBL8444919 0.87 ACE (0.43) ACERENLMNAHSD17B10KDM4E
SCHEMBL11370643 0.86 ACE (0.56) ACERENLMNAHSD17B10KDM4E
SCHEMBL9472773 0.86 ACE (0.56) ACERENLMNAHSD17B10KDM4E
SCHEMBL11559055 0.85 ACE (0.80) ACERENLMNAHSD17B10KDM4E
SCHEMBL7377582 0.85 PEPD (0.49) ACERENLMNAHSD17B10KDM4E
SCHEMBL11301917 0.84 ACE (0.73) ACERENLMNAHSD17B10KDM4E
SCHEMBL6950273 0.84 ACE (0.58) ACERENLMNAHSD17B10KDM4E
SCHEMBL11372050 0.83 ACE (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000212199-A PRODUCTION OF 1-[(S)-3-ACETYLTHIO-2-METHYLPROPANOYL-L- PROLYL-L-PHENYLALANINE AND INTERMEDIATE THEREOF OHARA YAKUHIN KOGYO KK 2000-08-02 JP disclosed
JP-2000143693-A PRODUCTION OF 1-[(S)-3-ACETYLTHIO-2-METHYLPROPANOYL]-L- PROLYL-L-PHENYLALANINE AND INTERMEDIATE OHARA YAKUHIN KOGYO KK 2000-05-26 JP disclosed
US-5387697-A Process for the preparation of 1-[3-acetylthio-2(s)-methylpropanoyl]-l-proline MERCK & CO., INC. (US) 1995-02-07 US disclosed