SCHEMBL31661885

SCHEMBL31661885

CCC(CC)Nc1c(Nc2cccc(C(=O)O)c2O)c(=O)c1=O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.76
CXCR1 P25024 6/20 0.76
CCR6 P51684 1/20 0.53

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
SCHEMBL31661881 1.00 CXCR2 (0.76) CXCR2CXCR1CCR6
SCHEMBL12086755 0.86 CXCR2 (1.00) CXCR2CXCR1CCR6
SCHEMBL9979965 0.85 CXCR2 (0.83) CXCR2CXCR1
SCHEMBL14512299 0.83 CXCR2 (0.69) CXCR2CXCR1
SCHEMBL31661839 0.83 CXCR2 (0.76) CXCR2CXCR1
SCHEMBL12086662 0.81 CXCR2 (0.89) CXCR2CXCR1CCR6
SCHEMBL12262581 0.81 CXCR2 (0.89) CXCR2CXCR1CCR6
SCHEMBL12262587 0.81 CXCR2 (0.84) CXCR2CXCR1CCR6
SCHEMBL12260550 0.81 CXCR2 (0.84) CXCR2CXCR1CCR6
SCHEMBL12086679 0.81 CXCR2 (0.84) CXCR2CXCR1CCR6

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-2025149577-A1 18F-CXCR2 PET TRACER JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2025-07-17 WO disclosed