SCHEMBL7793419

SCHEMBL7793419

Cc1c(OC2CCCCO2)ccc2c(OCc3ccccc3)c(C(=O)O)c(=O)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40
P2RY12 Q9H244 1/20 0.40
FHIT P49789 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SLC26A3 P40879 1/20 0.39

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
SCHEMBL6867274 0.92 NPC1 (0.40) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6860106 0.89 SLC26A3 (0.37) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6867279 0.87 PDE4B (0.37) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL7789618 0.84 HSP90AA1 (0.41) KDM4E
SCHEMBL7789617 0.84 HSP90AA1 (0.41) KDM4E
SCHEMBL6860108 0.83 PDE4B (0.35) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL7794175 0.82 GBA1 (0.42) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6940108 0.81 HSP90AB1 (0.36) KDM4E
SCHEMBL6940113 0.81 HSP90AB1 (0.36) KDM4E
SCHEMBL6860056 0.77 HSP90AB1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906326-B1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE AVENTIS PHARMA SA (FR) 2001-11-21 EP disclosed
EP-0906326-A1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE HOECHST MARION ROUSSEL (FR) 1999-04-07 EP disclosed
WO-1997047634-A1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE HOECHST MARION ROUSSEL (FR) 1997-12-18 WO disclosed