SCHEMBL7298612

SCHEMBL7298612

CCCCCN(Cc1ccc(-c2ccccc2C(=O)O)cc1)C(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 19/20 0.58
AGTR1 P30556 2/20 0.50

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
SCHEMBL8477345 0.83 AGTR1 (0.70) LTB4R2AGTR1
SCHEMBL3417 0.83 AGTR1 (0.70) LTB4R2AGTR1
SCHEMBL2872 0.77 LTB4R2 (0.65) LTB4R2AGTR1
SCHEMBL2097 0.77 LTB4R2 (0.65) LTB4R2AGTR1
SCHEMBL8475874 0.76 LTB4R2 (0.71) LTB4R2AGTR1
SCHEMBL9490569 0.76 AGTR1 (0.47) LTB4R2AGTR1
SCHEMBL15044785 0.73 CSNK1E (0.46)
SCHEMBL16525596 0.73 CSNK1E (0.46)
SCHEMBL28357247 0.73 CSNK1E (0.46)
SCHEMBL28357249 0.73 CSNK1E (0.46)

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
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed