SCHEMBL29934271

SCHEMBL29934271

C/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 6/20 0.61
▸ PTPN1 P18031 8/20 0.59
▸ CXCR5 P32302 1/20 0.59
▸ APLNR P35414 1/20 0.59
▸ CCR6 P51684 1/20 0.59
▸ F3 P13726 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ USP7 Q93009 1/20 0.54
▸ SLCO1B3 Q9NPD5 1/20 0.54
▸ SLCO1B1 Q9Y6L6 1/20 0.54
▸ ALOX5 P09917 1/20 0.53
▸ IKBKB O14920 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53

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 0.95 TOP1 (0.66) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13559854 0.94 PTPN1 (0.57) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13559849 0.94 PTPN1 (0.57) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL19360128 0.93 CXCR5 (0.67) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL12944982 0.93 CXCR5 (0.67) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL29934956 0.93 PTPN1 (0.68) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13007185 0.91 TOP1 (0.57) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL9061363 0.90 TOP1 (0.58) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13559851 0.89 PTPN1 (0.61) TOP1PTPN1CXCR5APLNRCCR6
SCHEMBL13559850 0.89 PTPN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
Send feedback