SCHEMBL7795412

SCHEMBL7795412

C[C@@H](NC(c1ccc(F)cc1)c1ccccc1Nc1c(O)c(=O)c1=O)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.40
CCR6 P51684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
TEAD4 Q15561 1/20 0.33
CXCR1 P25024 1/20 0.33
MAPKAPK2 P49137 3/20 0.33

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
SCHEMBL7805393 1.00 CXCR2 (0.40) CXCR2CCR6MEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL7803652 0.99 CXCR2 (0.39) CXCR2CCR6MEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL7795371 0.92 CXCR2 (0.39) CXCR2CCR6TEAD4CXCR1MAPKAPK2
Hydrochloric Acid SCHEMBL7801936 0.90 MAPKAPK2 (0.41) CXCR2CCR6KMT2ACXCR1MAPKAPK2
SCHEMBL7801434 0.90 CXCR2 (0.40) CXCR2CCR6RECQLTEAD4CXCR1
SCHEMBL7801983 0.90 CXCR2 (0.40) CXCR2CCR6RECQLTEAD4CXCR1
SCHEMBL7801221 0.89 CXCR2 (0.41) CXCR2CCR6TEAD4CXCR1MAPKAPK2
Hydrochloric Acid SCHEMBL7804257 0.89 CXCR2 (0.40) CXCR2CCR6TEAD4CXCR1MAPKAPK2
Hydrochloric Acid SCHEMBL7801287 0.89 CXCR2 (0.41) CXCR2CCR6TEAD4CXCR1MAPKAPK2
Trifluoroacetic Acid SCHEMBL7802224 0.85 CXCR2 (0.38) CXCR2CCR6CXCR1

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-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed