SCHEMBL13182811

SCHEMBL13182811

O=C(O)CC1CCCN(c2ccc(C(=O)N[C@H]3C4CC5CC3C[C@@](O)(C5)C4)c(SC3CCCC3)n2)C1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.91
HSD11B1 P28845 11/20 0.73

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
SCHEMBL2005794 1.00 IDH1 (0.91) IDH1HSD11B1
SCHEMBL2005793 1.00 IDH1 (0.91) IDH1HSD11B1
SCHEMBL2004709 0.99 IDH1 (0.93) IDH1HSD11B1
SCHEMBL2008275 0.99 IDH1 (0.93) IDH1HSD11B1
SCHEMBL13182599 0.99 IDH1 (0.93) IDH1HSD11B1
SCHEMBL13599991 0.96 IDH1 (0.98) IDH1HSD11B1
SCHEMBL4453896 0.96 IDH1 (0.98) IDH1HSD11B1
SCHEMBL1970745 0.96 IDH1 (0.98) IDH1HSD11B1
SCHEMBL12571200 0.96 IDH1 (0.98) IDH1HSD11B1
SCHEMBL2009075 0.96 IDH1 (0.98) IDH1HSD11B1

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-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed