SCHEMBL7280315

SCHEMBL7280315

CCCCS(=O)(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)CC(C)(C)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.37
AGTR1 P30556 14/20 0.37
ABCB11 O95342 1/20 0.35
GP6 Q9HCN6 1/20 0.35
AGTR2 P50052 6/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL2859 0.91 LTB4R2 (0.33) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL2568 0.90 AGTR1 (0.39) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL7271922 0.84 AGTR1 (0.49) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL2674 0.82 AGTR1 (0.38) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL2291 0.81 LTB4R2 (0.35) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL3026 0.79 AGTR1 (0.39) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL7279125 0.79 AGTR1 (0.39) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL2230 0.77 AGTR1 (0.51) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL8472135 0.77 LTB4R2 (0.39) LTB4R2AGTR1ABCB11GP6AGTR2
SCHEMBL2922 0.76 LTB4R2 (0.37) LTB4R2AGTR1ABCB11GP6AGTR2

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
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed