SCHEMBL7714199

SCHEMBL7714199

COC(=O)C(Cc1ccc(Oc2nc(Cl)cc3ccccc23)cc1)Nc1c(N2CCCCCC2)c(=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.46
ITGA4 P13612 9/20 0.46
PTGS2 P35354 3/20 0.42
ELANE P08246 1/20 0.37
MAPT P10636 1/20 0.35
PARP1 P09874 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL7714195 1.00 ITGB1 (0.46) ITGB1ITGA4PTGS2ELANEMAPT
SCHEMBL7264054 0.92 ITGB1 (0.55) ITGB1ITGA4PPARG
SCHEMBL7264060 0.92 ITGB1 (0.55) ITGB1ITGA4PPARG
SCHEMBL7714162 0.88 ELANE (0.37) ITGB1ITGA4PTGS2ELANEPARP1
SCHEMBL7714158 0.88 ELANE (0.37) ITGB1ITGA4PTGS2ELANEPARP1
SCHEMBL7718457 0.84 ITGA4 (0.56) ITGB1ITGA4PPARG
SCHEMBL7718460 0.84 ITGA4 (0.56) ITGB1ITGA4PPARG
SCHEMBL7716190 0.83 ITGB1 (0.54) ITGB1ITGA4ELANEMAPTPARP1
SCHEMBL7710671 0.83 ELANE (0.40) ITGB1ITGA4ELANEMAPTPARP1
SCHEMBL7710675 0.83 ELANE (0.40) ITGB1ITGA4ELANEMAPTPARP1

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