SCHEMBL7714162

SCHEMBL7714162

COC(=O)C(Cc1ccc(Oc2nc(Cl)cc3ccccc23)cc1)Nc1c(N2C(C)CCC2C)c(=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
ITGB1 P05556 6/20 0.36
ITGA4 P13612 6/20 0.36
GAA P10253 1/20 0.35
PARP1 P09874 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
PTGS2 P35354 1/20 0.34
YAP1 P46937 4/20 0.33
TACR3 P29371 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
SCHEMBL7714158 1.00 ELANE (0.37) ELANEITGB1ITGA4GAAPARP1
SCHEMBL7265026 0.93 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7265032 0.93 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7265036 0.93 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7265041 0.93 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7718428 0.90 ITGB1 (0.37) ELANEITGB1ITGA4GAAPARP1
SCHEMBL7718420 0.90 ITGB1 (0.37) ELANEITGB1ITGA4GAAPARP1
SCHEMBL7716475 0.89 ELANE (0.36) ELANEITGB1ITGA4GAAPARP1
SCHEMBL7716472 0.89 ELANE (0.36) ELANEITGB1ITGA4GAAPARP1
SCHEMBL7714195 0.88 ITGB1 (0.46) ELANEITGB1ITGA4PARP1PARP3

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed