SCHEMBL13867748

SCHEMBL13867748

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)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 10/20 0.65
▸ PTPN1 P18031 7/20 0.60
▸ CXCR5 P32302 1/20 0.58
▸ APLNR P35414 1/20 0.58
▸ CCR6 P51684 1/20 0.58
▸ SLCO1B3 Q9NPD5 1/20 0.55
▸ SLCO1B1 Q9Y6L6 1/20 0.55
▸ IKBKB O14920 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54

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
SCHEMBL15393756 1.00 TOP1 (0.65) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL15393753 0.98 TOP1 (0.62) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13007183 0.94 PTPN1 (0.68) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13867747 0.93 TOP1 (0.65) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13007191 0.92 PTPN1 (0.70) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL12945048 0.90 TOP1 (0.64) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13559837 0.90 TOP1 (0.66) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL30079641 0.89 PTPN1 (0.68) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL29934956 0.89 PTPN1 (0.68) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13288192 0.89 TOP1 (0.61) TOP1PTPN1CXCR5APLNRCCR6

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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