SCHEMBL22384113

SCHEMBL22384113

CCC(C)N(C(C)C)C(CCCNC(=N)N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL19729337 0.90 ALOX15 (0.37) ALOX15ITGB3ITGA2BMEN1GAA
SCHEMBL23222831 0.81 ALOX15 (0.35) ALOX15ITGB3ITGA2BMEN1GAA
SCHEMBL23222830 0.80 ALOX15 (0.36) ALOX15ITGB3ITGA2BMEN1GAA
SCHEMBL1419586 0.79 ALOX15 (0.34) ALOX15ITGB3ITGA2BMEN1GAA
SCHEMBL19729248 0.79 ALOX15 (0.37) ALOX15ITGB3ITGA2BMEN1KMT2A
SCHEMBL1881323 0.79 ALOX15 (0.34) ALOX15ITGB3ITGA2BMEN1GAA
SCHEMBL3732825 0.79 ALOX15 (0.34) ALOX15ITGB3ITGA2BMEN1GAA
SCHEMBL3377211 0.78 ALOX15 (0.36) ALOX15MEN1GAAKMT2ANOS3
SCHEMBL288819 0.78 NOS2 (0.38) ALOX15ITGB3ITGA2BMEN1GAA
SCHEMBL160690 0.78 NOS2 (0.38) ALOX15ITGB3ITGA2BMEN1GAA

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-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 EP disclosed