SCHEMBL7802233

SCHEMBL7802233

Cc1ccc(C(N[C@H](C)c2cccc(F)c2)c2ccccc2Nc2c(O)c(=O)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.39
CXCR1 P25024 2/20 0.39
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPKAPK2 P49137 2/20 0.36
GPR139 Q6DWJ6 1/20 0.34
CCR6 P51684 1/20 0.33
TEAD4 Q15561 1/20 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
SCHEMBL7801983 0.94 CXCR2 (0.40) CXCR2CXCR1LMNAALDH1A1GAA
SCHEMBL7801434 0.94 CXCR2 (0.40) CXCR2CXCR1LMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL7804257 0.93 CXCR2 (0.40) CXCR2CXCR1LMNAALDH1A1GAA
SCHEMBL7801773 0.90 ALDH1A1 (0.49) CXCR2CXCR1LMNAALDH1A1GAA
SCHEMBL7801488 0.90 ALDH1A1 (0.49) CXCR2CXCR1LMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL7805684 0.89 ALDH1A1 (0.48) CXCR2CXCR1LMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL7795371 0.88 CXCR2 (0.39) CXCR2CXCR1LMNAALDH1A1MAPKAPK2
SCHEMBL7801221 0.86 CXCR2 (0.41) CXCR2CXCR1ALDH1A1GAAMAPKAPK2
Hydrochloric Acid SCHEMBL7801287 0.85 CXCR2 (0.41) CXCR2CXCR1ALDH1A1MAPKAPK2CCR6
SCHEMBL7787572 0.84 MAPKAPK2 (0.41) CXCR2CXCR1MAPKAPK2TEAD4

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