SCHEMBL9239385

SCHEMBL9239385

COC(=O)CC(OC(=O)[C@H](C)CSC(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.38
ACE P12821 1/20 0.38
CPB2 Q96IY4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCC3 O15438 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
NR3C1 P04150 1/20 0.31
RARG P13631 1/20 0.31
CNR1 P21554 1/20 0.31
OPRK1 P41145 1/20 0.31
NR1H2 P55055 1/20 0.31
PPARA Q07869 1/20 0.31
NR1H3 Q13133 1/20 0.31
NR1I3 Q14994 1/20 0.31

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
SCHEMBL7400442 1.00 MME (0.38) MMEACECPB2CYP1A2CYP3A4
SCHEMBL7401069 0.88 MME (0.35) MMEACE
SCHEMBL7401071 0.88 MME (0.35) MMEACE
SCHEMBL7403308 0.84 MME (0.36) MMEACECPB2
SCHEMBL7403311 0.84 MME (0.36) MMEACECPB2
SCHEMBL7396035 0.82 MME (0.33) MMEACE
SCHEMBL7396031 0.82 MME (0.33) MMEACE
SCHEMBL7399113 0.82 MME (0.37) MMEACECPB2
SCHEMBL7399112 0.82 MME (0.37) MMEACECPB2
SCHEMBL7399624 0.81 MME (0.39) MMEACECPB2

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
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed