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Sugi Predict / Compounds / SCHEMBL9818006

SCHEMBL9818006

SCHEMBL9818006

Cc1ccc(CSC[C@H](NC(=O)C(CS)Cc2cccc3ccccc23)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.75
▸ HRH4 Q9H3N8 1/20 0.63

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
SCHEMBL7441978 0.87 ACE (0.81) ACE
SCHEMBL7327419 0.85 ACE (1.00) ACE
SCHEMBL7324587 0.85 ACE (0.78) ACE
SCHEMBL5695575 0.81 ACE (0.74) ACE
SCHEMBL5695577 0.81 ACE (0.74) ACE
SCHEMBL7319262 0.80 ACE (0.49) ACEHRH4
SCHEMBL7431829 0.80 ACE (0.81) ACE
SCHEMBL7444467 0.80 ACE (0.81) ACE
SCHEMBL5695601 0.79 ACE (0.71) ACE
SCHEMBL5695599 0.79 ACE (0.71) ACE

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-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 — — US disclosed