SCHEMBL6155515

SCHEMBL6155515

CO[C@@H]1[C@H](O)[C@@H](O)[C@H](c2ccc3c(N4CCCC4CO)cc(=O)oc3c2C)O[C@]1(C)CO

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
PDK2 Q15119 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDK4 Q16654 1/20 0.31
PRKDC P78527 2/20 0.31
KMT2A Q03164 4/20 0.30
MEN1 O00255 3/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL6158814 0.82 PRKDC (0.37) PDE3BPDE3AKDM4EALDH1A1PRKDC
SCHEMBL6156255 0.81 MEN1 (0.38) RAB9APDE3BPDE3AKDM4EALDH1A1
SCHEMBL8371288 0.81 PDE3B (0.39) PDE3BPDE3AALDH1A1HSD17B10PRKDC
SCHEMBL6156060 0.80 PDE3B (0.37) PDE3BPDE3AALDH1A1PRKDC
SCHEMBL6165736 0.79 PTPN1 (0.38) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL6156254 0.79 KDM4E (0.35) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL6155845 0.79 KMT2A (0.34) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7784158 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7784152 0.71 LMNA (0.35) KDM4E
SCHEMBL7608589 0.71 LMNA (0.36) KDM4E

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-0894805-B1 Ribose substituted aromatic derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2005-02-09 EP disclosed
EP-0894805-A1 Ribose substituted aromatic derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 1999-02-03 EP disclosed