SCHEMBL7877229

SCHEMBL7877229

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.54
REN P00797 3/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
F2 P00734 1/20 0.54
LTA4H P09960 1/20 0.54
MAPT P10636 1/20 0.54
PEPD P12955 1/20 0.54
ALOX15 P16050 1/20 0.54
PTGS1 P23219 1/20 0.54
HTR2A P28223 1/20 0.54
PTGS2 P35354 1/20 0.54
HRH1 P35367 1/20 0.54
THPO P40225 1/20 0.54
PMP22 Q01453 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
CYP2C19 P33261 1/20 0.43
RAB9A P51151 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
SCHEMBL9566638 1.00 ACE (0.54) ACERENLMNAHSD17B10KDM4E
SCHEMBL10486860 0.76 ACE (0.51) ACERENLMNAHSD17B10KDM4E
SCHEMBL1432569 0.76 ACE (0.49) ACERENLMNAHSD17B10KDM4E
SCHEMBL1881293 0.76 ACE (0.49) ACERENLMNAHSD17B10KDM4E
SCHEMBL1432340 0.76 ACE (0.49) ACERENLMNAHSD17B10KDM4E
Hydrochloric Acid SCHEMBL27214127 0.74 RAB9A (0.38) ACERENLMNAHSD17B10KDM4E
SCHEMBL27577641 0.74 RAB9A (0.41) ACERENLMNAHSD17B10KDM4E
SCHEMBL7207958 0.74 ACE (0.44) ACERENLMNAHSD17B10KDM4E
SCHEMBL3803835 0.74 ACE (0.44) ACERENLMNAHSD17B10KDM4E
SCHEMBL27496955 0.73 ACE (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6171232-B1 A DRUG DELIVERY OF NITROVASODILATORS BY A THIOL GROUP AGENT LOADED ONTO A MEDICAL DEVICE SUCH AS A STENT OR A CATHETER CORDIS CORPORATION 2001-01-09 US disclosed