SCHEMBL13288192

SCHEMBL13288192

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 8/20 0.61
▸ CXCR5 P32302 1/20 0.58
▸ APLNR P35414 1/20 0.58
▸ CCR6 P51684 1/20 0.58
▸ SLCO1B3 Q9NPD5 1/20 0.56
▸ SLCO1B1 Q9Y6L6 1/20 0.56
▸ PTPN1 P18031 8/20 0.55
▸ IKBKB O14920 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ BCL2L1 Q07817 1/20 0.48

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
SCHEMBL13007183 0.91 PTPN1 (0.68) TOP1CXCR5APLNRCCR6SLCO1B3
SCHEMBL13559837 0.90 TOP1 (0.66) TOP1CXCR5APLNRCCR6SLCO1B3
SCHEMBL15393756 0.89 TOP1 (0.65) TOP1CXCR5APLNRCCR6SLCO1B3
SCHEMBL13867748 0.89 TOP1 (0.65) TOP1CXCR5APLNRCCR6SLCO1B3
SCHEMBL13867747 0.88 TOP1 (0.65) TOP1CXCR5APLNRCCR6SLCO1B3
SCHEMBL13007191 0.88 PTPN1 (0.70) TOP1CXCR5APLNRCCR6SLCO1B3
SCHEMBL12944982 0.88 CXCR5 (0.67) TOP1CXCR5APLNRCCR6SLCO1B3
SCHEMBL19360128 0.88 CXCR5 (0.67) TOP1CXCR5APLNRCCR6SLCO1B3
SCHEMBL23584144 0.87 CXCR5 (0.61) TOP1CXCR5APLNRCCR6SLCO1B3
SCHEMBL15393753 0.87 TOP1 (0.62) TOP1CXCR5APLNRCCR6SLCO1B3

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-7727561-B2 from plants in sapindaceae family, such as Xanthoceras sorbifolia; ovarian, skin, bladder, prostate, leukocytes, and bone cancer cell growth inhiitor PACIFIC ARROW LIMITED (CN) 2010-06-01 — — US disclosed
US-7727561-B2 from plants in sapindaceae family, such as Xanthoceras sorbifolia; ovarian, skin, bladder, prostate, leukocytes, and bone cancer cell growth inhiitor PACIFIC ARROW LIMITED (CN) 2010-06-01 — — US disclosed
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