SCHEMBL8829341

SCHEMBL8829341

CC(C)(C)OC(=O)NN=C[C@@H](O)CO

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.45
MIF P14174 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL5544738 1.00 CTSK (0.45) CTSKMIFRAB9ANPC1RECQL
SCHEMBL8829337 1.00 CTSK (0.45) CTSKMIFRAB9ANPC1RECQL
SCHEMBL2671847 0.79 MAPT (0.50) CTSKMIFRAB9ANPC1RECQL
SCHEMBL1783780 0.79 MAPT (0.50) CTSKMIFRAB9ANPC1RECQL
SCHEMBL19594777 0.75 MIF (0.49) CTSKMIFRAB9ANPC1RECQL
SCHEMBL5768258 0.75 CTSK (0.46) CTSKMIFRAB9ANPC1RECQL
SCHEMBL12731332 0.72 RAB9A (0.49) CTSKMIFRAB9ANPC1RECQL
SCHEMBL2943326 0.72 MIF (0.53) CTSKMIFRAB9ANPC1RECQL
SCHEMBL2943324 0.72 MIF (0.53) CTSKMIFRAB9ANPC1RECQL
SCHEMBL23641570 0.72 RAB9A (0.49) CTSKMIFRAB9ANPC1RECQL

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
US-5668271-A Indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-09-16 US disclosed
US-5591842-A ANTICARCINOGENIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed