SCHEMBL13675227

SCHEMBL13675227

CC[C@@]1(OC(=O)COc2ccc(C(=O)O[C@H]3c4cc5c(cc4C(c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OCC43)OCO5)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.51
▸ GLA P06280 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TOP1 P11387 11/20 0.47
▸ LMNA P02545 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TP53 P04637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ HDAC3 O15379 1/20 0.42

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
SCHEMBL13675189 1.00 KDM4E (0.51) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL13672589 1.00 KDM4E (0.51) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL2602723 1.00 KDM4E (0.51) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL13672591 1.00 KDM4E (0.51) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL18265581 0.97 KDM4E (0.49) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL18265579 0.96 KDM4E (0.51) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL13675190 0.96 KDM4E (0.51) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL20807097 0.89 TOP1 (0.47) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL20807206 0.89 TOP1 (0.47) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL18774804 0.89 TOP1 (0.47) KDM4EGLAALDH1A1HPGDGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 — — US disclosed
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