SCHEMBL6155845

SCHEMBL6155845

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.34
MEN1 O00255 5/20 0.34
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
POLB P06746 1/20 0.31
GLA P06280 1/20 0.31
CA12 O43570 1/20 0.31
TNF P01375 1/20 0.31

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
SCHEMBL6156254 0.85 KDM4E (0.35) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL7784158 0.81 ALDH1A1 (0.45) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL6156255 0.81 MEN1 (0.38) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL6158814 0.80 PRKDC (0.37) KDM4EALDH1A1
SCHEMBL6155515 0.79 RAB9A (0.33) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL8371288 0.79 PDE3B (0.39) ALDH1A1HSD17B10NPSR1
SCHEMBL6156060 0.78 PDE3B (0.37) ALDH1A1LMNA
SCHEMBL7608589 0.77 LMNA (0.36) KDM4ELMNACA12CA9HSP90AA1
SCHEMBL7784152 0.77 LMNA (0.35) KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL6165736 0.77 PTPN1 (0.38) KDM4EALDH1A1HSD17B10HPGDHTT

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-0894805-B1 Ribose substituted aromatic derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2005-02-09 EP disclosed
US-5968939-A ANTIBIOTICS FROM AMINOOXOBENZOPYRAN COMPOUNDS HOECHST MARION ROUSSEL (FR) 1999-10-19 US disclosed
EP-0894805-A1 Ribose substituted aromatic derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 1999-02-03 EP disclosed