SCHEMBL4323694

SCHEMBL4323694

N=C(N)N1CCC[C@H](CC(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)O)C1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL2RA P01589 1/20 0.84
ALB P02768 1/20 0.84
IL2 P60568 1/20 0.84
ITGB1 P05556 1/20 0.57
ITGA4 P13612 1/20 0.57
F2 P00734 10/20 0.47
YAP1 P46937 2/20 0.47
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP10 P09238 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
PRSS1 P07477 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL4993522 1.00 IL2RA (0.84) IL2RAALBIL2ITGB1ITGA4
SCHEMBL4323684 1.00 IL2RA (0.84) IL2RAALBIL2ITGB1ITGA4
SCHEMBL4323700 1.00 IL2RA (0.84) IL2RAALBIL2ITGB1ITGA4
SCHEMBL14136732 0.91 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL6860596 0.91 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL14136720 0.91 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL6860593 0.91 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL19954949 0.88 IL2RA (0.74) IL2RAALBIL2ITGB1ITGA4
SCHEMBL15159835 0.88 IL2RA (0.77) IL2RAALBIL2ITGB1ITGA4
SCHEMBL15159838 0.88 IL2RA (0.85) IL2RAALBIL2ITGB1ITGA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed