SCHEMBL9856623

SCHEMBL9856623

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.68
CA2 P00918 13/20 0.68
CA4 P22748 6/20 0.68
CA12 O43570 3/20 0.68
CA9 Q16790 3/20 0.68
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL9705794 0.98 CA1 (0.68) CA1CA2CA4CA12CA9
SCHEMBL9972482 0.92 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL17883382 0.92 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL9163566 0.87 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL7512416 0.86 CA1 (0.71) CA1CA2CA4CA12CA9
SCHEMBL27083384 0.84 CA1 (0.63) CA1CA2CA4CA12CA9
SCHEMBL13764418 0.84 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL25296370 0.84 CA1 (0.64) CA1CA2CA4CA12CA9
SCHEMBL9164952 0.83 CA1 (0.52) CA1CA2CA4CA12CA9
SCHEMBL9705404 0.83 CYP3A4 (0.59) CA1CA2CA4CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413405-A2 Use of amide complex compounds SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-20 EP claimed
EP-0413405-A2 Use of amide complex compounds SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-20 EP disclosed