SCHEMBL8741191

SCHEMBL8741191

CCCCc1nc2c(Cc3ccc(-c4ccccc4)c(C(=O)O)c3)cc(CO)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 8/20 0.47
FOLH1 Q04609 1/20 0.41
DHODH Q02127 1/20 0.40
AGTR1 P30556 3/20 0.39
AGTR2 P50052 3/20 0.39

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
SCHEMBL9452733 0.91 BRS3 (0.56) BRS3AGTR1AGTR2
SCHEMBL9509637 0.84 BRS3 (0.47) BRS3FOLH1DHODHAGTR1AGTR2
SCHEMBL9529409 0.81 BRS3 (0.55) BRS3AGTR1AGTR2
SCHEMBL9304542 0.78 BRS3 (0.56) BRS3AGTR1AGTR2
SCHEMBL9510826 0.74 BRS3 (0.55) BRS3AGTR1AGTR2
SCHEMBL3737185 0.73 FOLH1 (0.63) BRS3FOLH1DHODHAGTR1AGTR2
SCHEMBL9452730 0.72 BRS3 (0.57) BRS3AGTR1AGTR2
SCHEMBL9202144 0.71 AGTR1 (0.46) BRS3FOLH1DHODHAGTR1AGTR2
SCHEMBL8741172 0.70 FOLH1 (0.49) BRS3FOLH1
SCHEMBL9200596 0.69 BRS3 (0.42) BRS3FOLH1DHODHAGTR1AGTR2

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
EP-0724387-A4 TREATMENT OF CHRONIC ANTI-INFLAMMATORY DISEASES BY ANGIOTENSION II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-06-18 EP disclosed
EP-0724387-A1 TREATMENT OF CHRONIC ANTI-INFLAMMATORY DISEASES BY ANGIOTENSION II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-07 EP disclosed
WO-1995006410-A1 TREATMENT OF CHRONIC INFLAMMATORY DISEASES BY ANGIOTENSION II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-03-09 WO disclosed
EP-0561878-A1 USE OF ANGIOTENSIN II ANTAGONIST IN THE TREATMENT OF INFARCTION SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed