SCHEMBL12434010

SCHEMBL12434010

NC(=O)CC(=O)NCCCN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
LMNA P02545 2/20 0.63
KDM4E B2RXH2 1/20 0.63
HPGD P15428 1/20 0.58
DUSP3 P51452 1/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 2/20 0.56
HIF1A Q16665 1/20 0.56
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL10504617 0.90 SMN1; SMN2 (0.56) GAALMNAKDM4ESMN1; SMN2TSHR
SCHEMBL23699040 0.85 GAA (0.62) GAALMNAKDM4EHPGDDUSP3
SCHEMBL12330918 0.85 GAA (0.67) GAALMNAKDM4EHPGDDUSP3
SCHEMBL3903156 0.85 GAA (0.76) GAALMNAKDM4EHPGDDUSP3
SCHEMBL9779397 0.84 GAA (0.60) GAALMNAKDM4EHPGDDUSP3
SCHEMBL23707785 0.82 SMN1; SMN2 (0.57) GAALMNAKDM4EALDH1A1MAPK1
SCHEMBL29497614 0.82 GAA (1.00) GAALMNAKDM4EHPGDDUSP3
SCHEMBL18628071 0.82 GAA (0.62) GAALMNAKDM4EHPGDDUSP3
SCHEMBL8433585 0.82 ALDH1A1 (0.66) GAALMNAKDM4EHPGDDUSP3
SCHEMBL13655375 0.81 LMNA (0.84) GAALMNAKDM4EHPGDDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858849-A1 DERIVATIVE BASED ON COMMON ANEMARRHENAE RHIZOME SARSASAPOGENIN STRUCTURE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Phytovent Biopharma (CN) 2021-08-04 EP disclosed
WO-2020062883-A1 DERIVATIVE BASED ON COMMON ANEMARRHENAE RHIZOME SARSASAPOGENIN STRUCTURE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 深圳清博汇能医药科技有限公司 2020-04-02 WO disclosed
EP-2351744-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE Shionogi & Co., Ltd. (JP) 2011-08-03 EP disclosed