SCHEMBL8734429

SCHEMBL8734429

COc1ccc(CCCCOc2ccc(S(O)(O)Cc3cccc(N)c3)nc2C=CC(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.69

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
SCHEMBL8890317 0.99 LTB4R (0.70) LTB4R
SCHEMBL9337162 0.91 LTB4R (0.59) LTB4R
SCHEMBL9366835 0.83 LTB4R (0.73) LTB4R
SCHEMBL9333870 0.82 LTB4R (0.75) LTB4R
SCHEMBL8862134 0.82 LTB4R (0.84) LTB4R
SCHEMBL8075145 0.81 LTB4R (0.78) LTB4R
SCHEMBL9542811 0.80 LTB4R (0.58) LTB4R
SCHEMBL8078852 0.80 LTB4R (0.98) LTB4R
SCHEMBL8080163 0.79 LTB4R (1.00) LTB4R
SCHEMBL9544958 0.79 LTB4R (0.57) LTB4R

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-0812194-A4 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORP (US) 1998-03-11 EP disclosed
EP-0812194-A1 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-17 EP disclosed
WO-1996026725-A1 METHOD FOR TREATING ATOPIC DERMATITIS AND CONTACT DERMATITIS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-06 WO disclosed