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Sugi Predict / Compounds / SCHEMBL21297009

SCHEMBL21297009

SCHEMBL21297009

Cc1ccc([C@@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCOCC2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 20/20 1.00
▸ CXCR2 P25025 20/20 1.00
▸ CXCR3 P49682 2/20 0.85
▸ CCR6 P51684 2/20 0.85
▸ CXCR6 O00574 1/20 0.76
▸ ACKR3 P25106 1/20 0.76
▸ CXCR4 P61073 1/20 0.76
▸ CCR7 P32248 4/20 0.67

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
SCHEMBL14894646 1.00 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL12263314 0.95 CXCR1 (0.90) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894328 0.92 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894327 0.92 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14905804 0.92 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14895162 0.86 CXCR1 (0.80) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14895346 0.86 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894864 0.84 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL16169933 0.84 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894886 0.84 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6

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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