SCHEMBL7655898

SCHEMBL7655898

CC(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
CMA1 P23946 2/20 0.41
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
PGC P20142 1/20 0.40

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
SCHEMBL7656163 0.91 CCR1 (0.44) ACE2CMA1
SCHEMBL7660638 0.89 CCR1 (0.46) ACE2CMA1CTSD
SCHEMBL7668192 0.89 CAPN1 (0.49) CMA1CTSD
SCHEMBL7665779 0.89 PREP (0.38) ACE2CMA1CTSD
SCHEMBL7664392 0.89 ELANE (0.47) CMA1
SCHEMBL7662792 0.89 CA2 (0.40) ACE2CMA1
SCHEMBL7659218 0.88 CMA1 (0.52) CMA1
SCHEMBL7655849 0.87 CTSD (0.46) CTSD
Hydrochloric Acid SCHEMBL7665936 0.86 HSD17B10 (0.40) ACE2CMA1
SCHEMBL5711224 0.84 CMA1 (0.48) ACE2CMA1

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-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed