SCHEMBL18870050

SCHEMBL18870050

CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)C1O)c1ccc(C)o1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.70
▸ CXCR1 P25024 17/20 0.70
▸ CCR7 P32248 4/20 0.70
▸ CCR6 P51684 1/20 0.70

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
Navarixin Anhydrous SCHEMBL184744 0.82 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
Navarixin Anhydrous SCHEMBL12262719 0.82 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
Navarixin Anhydrous SCHEMBL1446663 0.82 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
Navarixin Anhydrous SCHEMBL2024683 0.81 CXCR2 (0.98) CXCR2CXCR1CCR7CCR6
Navarixin Anhydrous SCHEMBL2024684 0.81 CXCR2 (0.98) CXCR2CXCR1CCR7CCR6
SCHEMBL13208128 0.79 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
SCHEMBL13436971 0.78 CXCR2 (0.65) CXCR2CXCR1CCR7CCR6
SCHEMBL13436957 0.78 CXCR2 (0.64) CXCR2CXCR1CCR7CCR6
SCHEMBL12310859 0.78 CXCR2 (0.64) CXCR2CXCR1CCR7CCR6
SCHEMBL13405672 0.78 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6

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-2178826-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME (US) 2017-05-17 — — EP disclosed
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