SCHEMBL9240331

SCHEMBL9240331

CC(=O)SC[C@H](C)C(=O)OC(CSc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.47
MME P08473 2/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL9240334 1.00 ACE (0.47) ACEMMEMTNR1AMTNR1BMAOA
SCHEMBL7398528 0.84 MME (0.37) ACEMMEMTNR1AMTNR1B
SCHEMBL7398531 0.84 MME (0.37) ACEMMEMTNR1AMTNR1B
SCHEMBL7394099 0.84 MTNR1A (0.44) ACEMTNR1AMTNR1BMAOAMAOB
SCHEMBL7394102 0.84 MTNR1A (0.44) ACEMTNR1AMTNR1BMAOAMAOB
SCHEMBL7488830 0.82 MME (0.42) ACEMMEPPARGPPARA
SCHEMBL7488825 0.82 MME (0.42) ACEMMEPPARGPPARA
SCHEMBL7400828 0.82 MME (0.49) ACEMMEPPARGPPARA
SCHEMBL7400830 0.82 MME (0.49) ACEMMEPPARGPPARA
SCHEMBL7399675 0.82 MME (0.40) ACEMME

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