SCHEMBL7400828

SCHEMBL7400828

CC(=O)SC[C@H](C)C(=O)OC(CSCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.49
ACE P12821 5/20 0.45
METAP2 P50579 1/20 0.40
PPARA Q07869 4/20 0.40
PPARG P37231 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCC3 O15438 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
RARG P13631 1/20 0.39
CNR1 P21554 1/20 0.39
OPRK1 P41145 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
NR1I3 Q14994 1/20 0.39

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
SCHEMBL7400830 1.00 MME (0.49) MMEACEMETAP2PPARAPPARG
SCHEMBL7399007 0.85 ACE (0.58) ACE
SCHEMBL7399009 0.85 ACE (0.58) ACE
SCHEMBL9240331 0.82 ACE (0.47) MMEACEPPARAPPARG
SCHEMBL9240334 0.82 ACE (0.47) MMEACEPPARAPPARG
SCHEMBL7397619 0.81 MME (0.48) MMEACEPPARACYP1A2CYP3A4
SCHEMBL7397617 0.81 MME (0.48) MMEACEPPARACYP1A2CYP3A4
SCHEMBL7399118 0.80 MME (0.36) MMEACE
SCHEMBL9240403 0.80 MME (0.36) MMEACE
SCHEMBL7401651 0.80 MME (0.36) MMEACE

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
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
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed