SCHEMBL13867747

SCHEMBL13867747

C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C\C)[C@@]2(CO)C(CC1(C)C)C1=CCC3[C@@]4(C)CC[C@H](C)[C@](C)(CO)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 8/20 0.65
▸ CXCR5 P32302 1/20 0.62
▸ APLNR P35414 1/20 0.62
▸ CCR6 P51684 1/20 0.62
▸ PTPN1 P18031 7/20 0.55
▸ SLCO1B3 Q9NPD5 1/20 0.54
▸ SLCO1B1 Q9Y6L6 1/20 0.54
▸ CRHBP P24387 2/20 0.52
▸ CRHR2 Q13324 2/20 0.52
▸ IKBKB O14920 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50

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
SCHEMBL13559837 0.94 TOP1 (0.66) TOP1CXCR5APLNRCCR6PTPN1
SCHEMBL13867748 0.93 TOP1 (0.65) TOP1CXCR5APLNRCCR6PTPN1
SCHEMBL15393756 0.93 TOP1 (0.65) TOP1CXCR5APLNRCCR6PTPN1
SCHEMBL12944982 0.92 CXCR5 (0.67) TOP1CXCR5APLNRCCR6PTPN1
SCHEMBL19360128 0.92 CXCR5 (0.67) TOP1CXCR5APLNRCCR6PTPN1
SCHEMBL15393753 0.91 TOP1 (0.62) TOP1CXCR5APLNRCCR6PTPN1
SCHEMBL13007183 0.90 PTPN1 (0.68) TOP1CXCR5APLNRCCR6PTPN1
SCHEMBL29934271 0.89 TOP1 (0.61) TOP1CXCR5APLNRCCR6PTPN1
SCHEMBL13867743 0.89 PTPN1 (0.65) TOP1CXCR5APLNRCCR6PTPN1
SCHEMBL14435523 0.89 PTPN1 (0.65) TOP1CXCR5APLNRCCR6PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586719-B2 Triterpenes for modulating gene expression and cell membrane, and as antiprotozoal agents PACIFIC ARROW LIMITED (CN) 2013-11-19 — — US disclosed
US-7514412-B2 Anticancer biangeloyl saponins PACIFIC ARROW LIMITED (CN) 2009-04-07 — — US disclosed
US-7514412-B2 Anticancer biangeloyl saponins PACIFIC ARROW LIMITED (CN) 2009-04-07 — — US disclosed
US-7262285-B2 Anticancer biangeloyl saponins PACIFIC ARROW LIMITED (CN) 2007-08-28 — — US disclosed
US-7262285-B2 Anticancer biangeloyl saponins PACIFIC ARROW LIMITED (CN) 2007-08-28 — — US disclosed
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