SCHEMBL8438879

SCHEMBL8438879

CCCCc1ncc(CSCC(=O)O)n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.68
AGTR2 P50052 1/20 0.53

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
Water SCHEMBL8433835 0.99 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL8437135 0.86 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9386649 0.85 AGTR1 (0.65) AGTR1
SCHEMBL5547472 0.84 AGTR1 (0.72) AGTR1
Water SCHEMBL9029753 0.84 AGTR1 (0.64) AGTR1
SCHEMBL8438148 0.83 AGTR1 (0.63) AGTR1
SCHEMBL9030068 0.83 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8435857 0.83 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8438150 0.82 AGTR1 (0.62) AGTR1
SCHEMBL8436450 0.82 AGTR1 (0.61) AGTR1AGTR2

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 2 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
WO-1994000120-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO disclosed