SCHEMBL8298580

SCHEMBL8298580

CC(=O)NCCCCC(NC=O)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ FOLH1 Q04609 1/20 0.48
▸ PAOX Q6QHF9 3/20 0.46
▸ ADRA1A P35348 1/20 0.42
▸ SIRT5 Q9NXA8 2/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALB P02768 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ ZDHHC7 Q9NXF8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ ADH1B P00325 1/20 0.33
▸ ADH1C P00326 1/20 0.33
▸ ADH1A P07327 1/20 0.33

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
SCHEMBL29335384 0.95 KDM4E (0.47) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL21534451 0.81 C3AR1 (0.36) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL11887166 0.80 KDM4E (0.56) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL17951698 0.80 ADH1B (0.53) SIRT6SIRT1DPP7ZDHHC7ADH1B
SCHEMBL10408291 0.80 KDM4E (0.56) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL14932592 0.80 KDM4E (0.56) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL14932573 0.80 KDM4E (0.56) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL17210488 0.79 GSR (0.42) FOLH1PAOXSIRT6SIRT1DPP7
SCHEMBL27312128 0.77 SMN1; SMN2 (0.43) KDM4EMAPK1HIF1AFOLH1PAOX
SCHEMBL20235708 0.77 KDM4E (0.52) KDM4EMAPK1HIF1AFOLH1PAOX

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
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 — — WO disclosed
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