SCHEMBL8434336

SCHEMBL8434336

CCCCc1ncc(COC(C)=O)n1Cc1ccc(C(=O)O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.58
▸ AGTR2 P50052 3/20 0.58

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
SCHEMBL8434213 0.77 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL6972578 0.76 — —
SCHEMBL20178600 0.73 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9139865 0.70 AGTR1 (0.48) AGTR1
SCHEMBL850225 0.69 PPARA (0.56) AGTR1AGTR2
SCHEMBL7268388 0.69 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL5547472 0.69 AGTR1 (0.72) AGTR1
SCHEMBL11843092 0.67 ALOX5 (0.43) —
SCHEMBL9516446 0.66 CA12 (0.62) AGTR1AGTR2
SCHEMBL9386724 0.66 AGTR1 (0.65) AGTR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929249-A ANGIOTENSIN II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 — — US disclosed
US-5728842-A ANGIOTENSIN II RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1998-03-17 — — US disclosed
EP-0653937-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1996-07-31 — — EP disclosed
EP-0653937-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-24 — — EP disclosed
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