SCHEMBL6138330

SCHEMBL6138330

O=c1c(Nc2ccccc2Oc2ccccc2)c(Nc2ccc(Cl)c(S)c2O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.46
CXCR2 P25025 11/20 0.46
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX12 P18054 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CCR6 P51684 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6138814 0.85 CCR6 (0.48) CXCR2ALDH1A1CCR6MAPTSMN1; SMN2
SCHEMBL6138738 0.82 CXCR2 (0.54) CXCR2CCR6
SCHEMBL5711768 0.82 CXCR2 (0.48) ACLYCXCR2CCR6
SCHEMBL6138890 0.81 CXCR2 (0.66) CXCR2
SCHEMBL6138817 0.79 CXCR2 (0.61) CXCR2CCR6
SCHEMBL6103699 0.78 CXCR2 (0.62) ACLYCXCR2GAATSHRLMNA
SCHEMBL6138369 0.75 CXCR2 (0.47) CXCR2CCR6
SCHEMBL6138767 0.74 CXCR2 (0.50) CXCR2CCR6
SCHEMBL3882244 0.68 CXCR2 (0.69) CXCR2ALDH1A1CCR6MAPTSMN1; SMN2
SCHEMBL5711770 0.68 CCR6 (0.56) CXCR2CCR6

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-1351933-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-09-07 EP disclosed
EP-1351933-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2003-10-15 EP disclosed
WO-2002057230-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-25 WO disclosed