SCHEMBL6850672

SCHEMBL6850672

CCOC(=O)CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.84
CXCR1 P25024 9/20 0.84
MAPT P10636 1/20 0.78

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
SCHEMBL5845444 0.91 CXCR2 (1.00) CXCR2CXCR1MAPT
SCHEMBL5846271 0.90 CXCR2 (1.00) CXCR2CXCR1MAPT
SCHEMBL5846313 0.89 MAPT (0.78) CXCR2CXCR1MAPT
SCHEMBL5847241 0.86 MAPT (0.68) CXCR2CXCR1MAPT
SCHEMBL3207238 0.85 CXCR2 (0.75) CXCR2CXCR1
SCHEMBL5846095 0.84 CXCR2 (0.71) CXCR2CXCR1
SCHEMBL5847566 0.84 CXCR2 (0.74) CXCR2CXCR1
SCHEMBL5845286 0.83 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL5845566 0.83 CXCR2 (0.81) CXCR2CXCR1
SCHEMBL5846736 0.83 MAPT (0.70) CXCR2CXCR1MAPT

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
US-6777432-B1 TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES DARWIN MOLECULAR CORPORATION 2004-08-17 US disclosed