SCHEMBL7871815

SCHEMBL7871815

CCOC(=O)CN1C(=O)[C@H](NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)CSc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.55
MME P08473 3/20 0.51
ACE P12821 3/20 0.51
SCN9A Q15858 6/20 0.49
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
CTSS P25774 1/20 0.47
XIAP P98170 1/20 0.45

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
SCHEMBL7871813 1.00 SRC (0.55) SRCMMEACESCN9AKLK7
SCHEMBL7876237 0.94 SRC (0.49) SRCMMEACESCN9AKLK7
SCHEMBL7876236 0.94 SRC (0.49) SRCMMEACESCN9AKLK7
SCHEMBL7876234 0.92 ACE (0.58) SRCMMEACESCN9AKLK7
SCHEMBL7876232 0.92 ACE (0.58) SRCMMEACESCN9AKLK7
SCHEMBL7871804 0.86 SRC (0.49) SRCMMEACESCN9AKLK7
SCHEMBL7871802 0.86 SRC (0.49) SRCMMEACESCN9AKLK7
SCHEMBL7864412 0.81 ACE (0.56) MMEACEXIAP
SCHEMBL7864413 0.81 ACE (0.56) MMEACEXIAP
SCHEMBL11061682 0.81 ACE (0.56) MMEACEXIAP

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-6316413-B1 HETEROCYCLIC OLIGOPEPTIDE DERIVATIVES FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-13 US disclosed