SCHEMBL7399673

SCHEMBL7399673

CC(=O)SC[C@H](C)C(=O)OC(CSc1cccs1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.40
ACE P12821 2/20 0.40
MMP1 P03956 5/20 0.38
FCER2 P06734 3/20 0.36
MMP2 P08253 3/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
MMP14 P50281 2/20 0.35
ADAM17 P78536 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL7399675 1.00 MME (0.40) MMEACEMMP1FCER2MMP2
SCHEMBL7398653 0.87 MMP1 (0.40) ACEMMP1FCER2MMP2MMP3
SCHEMBL7398652 0.87 MMP1 (0.40) ACEMMP1FCER2MMP2MMP3
SCHEMBL9240331 0.82 ACE (0.47) MMEACE
SCHEMBL9240334 0.82 ACE (0.47) MMEACE
SCHEMBL7398528 0.79 MME (0.37) MMEACE
SCHEMBL7398531 0.79 MME (0.37) MMEACE
SCHEMBL7398940 0.76 MME (0.40) MMEACE
SCHEMBL7398938 0.76 MME (0.40) MMEACE
Amantadine SCHEMBL7396700 0.75 PTGER1 (0.36) MMP1FCER2MMP2MMP3MMP7

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
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