SCHEMBL9007481

SCHEMBL9007481

CCCCC1(C)NC2=C(C(=O)C(O)=C(O)C2=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.47
AGTR2 P50052 3/20 0.47
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL10589205 0.79 AGTR1 (0.46) AGTR1AGTR2LTB4R2
SCHEMBL8843482 0.73 AGTR1 (0.39) AGTR1AGTR2LTB4R2
SCHEMBL8861079 0.71 ACHE (0.46) AGTR1AGTR2LTB4R2
SCHEMBL10588881 0.67 ACHE (0.46) AGTR1AGTR2LTB4R2
SCHEMBL9734324 0.67 AGTR1 (0.55) AGTR1AGTR2LTB4R2
SCHEMBL3906504 0.67 BRS3 (0.70) AGTR1AGTR2LTB4R2
SCHEMBL9535397 0.66 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL4192326 0.65 LTB4R2 (0.65) LTB4R2
SCHEMBL10341051 0.65 LTB4R2 (0.65) LTB4R2
Hexane SCHEMBL9090054 0.65 LTB4R2 (0.64) AGTR1AGTR2LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506361-A ACTS BOTH AS AN ANGIOTENSIN II ANTAGONIST AND A LIPIDPEROXIDATION INHIBITOR THEUPJOHN COMPANY (US) 1996-04-09 US claimed
WO-1992019211-A2 IMIDAZOBENZOQUINONES AND COMPOSITION FOR PREVENTING OR TREATING HYPERTENSION OR CONGESTIVE HEART FAILURE CONTAINING THE SAME THE UPJOHN COMPANY (US) 1992-11-12 WO claimed
US-5506361-A ACTS BOTH AS AN ANGIOTENSIN II ANTAGONIST AND A LIPIDPEROXIDATION INHIBITOR THEUPJOHN COMPANY (US) 1996-04-09 US disclosed