SCHEMBL8843865

SCHEMBL8843865

CCOC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)oc(-c2ccc(OC)c(OCc3ccccc3)c2)c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.49
▸ PRKCZ Q05513 1/20 0.49
▸ SMPD1 P17405 2/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46

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
SCHEMBL8843764 0.96 HPGD (0.53) F2PRKCZHPGDKDM4EALDH1A1
SCHEMBL8843661 0.78 ALDH1A1 (0.52) HPGDKDM4EALDH1A1MEN1GAA
SCHEMBL8843744 0.78 ALDH1A1 (0.65) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL11730888 0.76 NPC1 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8843771 0.75 PDE4A (0.52) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL1609793 0.75 F2 (0.53) F2HPGDKDM4EALDH1A1NPC1
SCHEMBL340393 0.75 SMN1; SMN2 (0.72) SMPD1HDAC1HDAC8HDAC6HPGD
Hydrogen Sulfide SCHEMBL3809014 0.74 F2 (0.52) F2HPGDKDM4EALDH1A1NPC1
SCHEMBL3809016 0.74 F2 (0.52) F2HPGDKDM4EALDH1A1NPC1
SCHEMBL8843535 0.74 PDE4A (0.63) SMPD1HDAC1HDAC8HDAC6HPGD

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
US-5629340-A DIPHENYL FURAN COMPOUNDS TSUMURA & CO. (JP) 1997-05-13 — — US disclosed
EP-0678296-A1 VASCULARIZATION INHIBITOR AND NOVEL COMPOUND TSUMURA & CO. (JP) 1995-10-25 — — EP disclosed
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