SCHEMBL21297010

SCHEMBL21297010

Cc1ccc([C@@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2CCSCC2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 1.00
▸ CXCR1 P25024 19/20 1.00
▸ CCR7 P32248 4/20 0.91
▸ CCR6 P51684 3/20 0.76
▸ CXCR3 P49682 2/20 0.76
▸ CCR4 P51679 1/20 0.76

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
SCHEMBL14895104 1.00 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL12262746 0.96 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL12262779 0.92 CXCR1 (0.93) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14894600 0.90 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL20313461 0.90 CXCR1 (0.88) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14894938 0.87 CXCR1 (0.84) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14895013 0.86 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14895442 0.84 CXCR1 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14895297 0.84 CXCR1 (1.00) CXCR2CXCR1CCR7CCR6CXCR3
SCHEMBL14894973 0.84 CXCR1 (1.00) CXCR2CXCR1CCR7CCR6CXCR3

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
WO-2019165315-A1 METHOD FOR TREATING CANCER USING CHEMOKINE ANTAGONISTS ALONE OR IN COMBINATION SYNTRIX BIOSYSTEMS INC. (US) 2019-08-29 — — WO disclosed
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