SCHEMBL8549764

SCHEMBL8549764

Cc1c(NC(=O)OC(C)(C)C)ccc2oc(N[C@@H](Cc3ccc(I)cc3)C(=O)O)nc(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
CTRB1 P17538 1/20 0.47
APP P05067 1/20 0.37
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
ACE P12821 1/20 0.35
PTPN1 P18031 2/20 0.34
P2RX7 Q99572 1/20 0.34
LCK P06239 1/20 0.34
PPARG P37231 4/20 0.34
EPHX2 P34913 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ITGB1 P05556 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
SCHEMBL6499066 0.87 ELANE (0.64) ELANECTRB1APPITGB3ITGA2B
SCHEMBL8543203 0.82 CTRB1 (0.57) ELANECTRB1P2RX7LCKEPHX2
SCHEMBL8549802 0.80 MAPT (0.51) ELANECTRB1ACEALDH1A1CTSS
SCHEMBL7830822 0.80 ELANE (0.61) ELANECTRB1LCKALDH1A1
SCHEMBL6496223 0.79 ELANE (0.72) ELANECTRB1APPACEPTPN1
SCHEMBL6498011 0.78 ELANE (0.63) ELANECTRB1APPITGB3ITGA2B
SCHEMBL6498666 0.78 ELANE (0.62) ELANECTRB1APPACELCK
SCHEMBL7659173 0.77 ATM (0.43) ELANEPPARGMEN1ALDH1A1KMT2A
SCHEMBL8545041 0.77 ELANE (0.43) ELANECTRB1PPARGPPARAMEN1
SCHEMBL6503996 0.77 ELANE (0.60) ELANECTRB1APPITGA4ITGB7

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-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed