SCHEMBL8844447

SCHEMBL8844447

Cc1c(-c2ccc3c(c2)OCO3)oc(-c2ccc3c(c2)OCO3)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALOX5 P09917 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
ALOX12 P18054 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
CA12 O43570 1/20 0.45

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
SCHEMBL8843864 0.89 ALOX5 (0.50) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL25306709 0.79 ALDH1A1 (0.48) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8988345 0.76 MAPT (0.67) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL22162812 0.74 CA12 (0.58) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL3901839 0.72 CA12 (0.61) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL13376227 0.72 GAA (0.67) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL26923012 0.71 KDM4E (0.50) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL29629010 0.71 PTGS2 (0.58) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2692579 0.71 CA12 (0.59) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL3492339 0.71 NPC1 (0.81) KDM4EMAPTALDH1A1SMN1; SMN2NPC1

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