SCHEMBL9430243

SCHEMBL9430243

CCCCC(=O)C(Cc1ccc(-c2ccccc2-c2nnn(C(C)(C)C)n2)cc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AGTR1 P30556 8/20 0.42
AGTR2 P50052 2/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL9566964 0.91 AGTR1 (0.42) TSHRMAPK1L3MBTL1AGTR1AGTR2
SCHEMBL9137311 0.84 AGTR1 (0.40) TSHRAGTR1AGTR2LTB4R2
SCHEMBL9710053 0.83 AGTR1 (0.46) AGTR1AGTR2LTB4R2
SCHEMBL9538443 0.81 AGTR1 (0.46) TSHRMAPK1L3MBTL1AGTR1LTB4R2
SCHEMBL9709506 0.81 AGTR1 (0.46) AGTR1AGTR2LTB4R2
SCHEMBL9154007 0.79 AGTR1 (0.44) TSHRMAPK1L3MBTL1AGTR1AGTR2
SCHEMBL9709619 0.78 AGTR1 (0.44) TSHRAGTR1AGTR2
SCHEMBL8802076 0.77 AGTR1 (0.45) AGTR1AGTR2LTB4R2
SCHEMBL9024939 0.76 LTB4R2 (0.58) AGTR1LTB4R2
SCHEMBL8671881 0.76 LTB4R2 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371233-A 2-(tetrazol-5-yl)-1,1'-biphenyl derivatives, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1994-12-06 US disclosed