SCHEMBL11623733

SCHEMBL11623733

O=C1NC(=O)C(C2CCCCC2)(C2CCCCC2)N1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MMP13 P45452 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 2/20 0.33
CYP19A1 P11511 1/20 0.32
TBXAS1 P24557 1/20 0.32
MAPT P10636 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
APP P05067 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL18355765 0.93 GAA (0.34) GAAMMP13RAB9ASMN1; SMN2HPGD
SCHEMBL20399794 0.91 ALDH1A1 (0.36) GAAMMP13RAB9ASMN1; SMN2HPGD
SCHEMBL14359375 0.89 ALDH1A1 (0.38) GAAHPGDMAPK1TDP1ALDH1A1
SCHEMBL20399711 0.77 ALDH1A1 (0.35) MMP13ALDH1A1ADAMTS5
SCHEMBL11021412 0.75 GAA (0.36) GAAMMP13RAB9ASMN1; SMN2HPGD
SCHEMBL15974332 0.75 GAA (0.36) GAAMMP13RAB9ASMN1; SMN2HPGD
SCHEMBL8958230 0.75 GAA (0.36) GAAMMP13RAB9ASMN1; SMN2HPGD
SCHEMBL11865054 0.74 ALOX12 (0.34) GAATDP1ALDH1A1HSD11B1MAPT
SCHEMBL5447079 0.73 GAA (0.42) GAAMMP13RAB9ASMN1; SMN2HPGD
SCHEMBL15974011 0.72 GAA (0.36) GAAMMP13RAB9ASMN1; SMN2HPGD

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-4071477-A CASTING AND LAMINATING RESINS CIBA-GEIGY CORPORATION (US) 1978-01-31 US disclosed