SCHEMBL29934956

SCHEMBL29934956

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

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.68
▸ TOP1 P11387 5/20 0.62
▸ IKBKB O14920 1/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ CXCR5 P32302 1/20 0.56
▸ APLNR P35414 1/20 0.56
▸ CCR6 P51684 1/20 0.56
▸ CYP3A4 P08684 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ OXTR P30559 1/20 0.53
▸ AVPR1A P37288 1/20 0.53
▸ CD81 P60033 1/20 0.53
▸ F3 P13726 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ SLCO1B1 Q9Y6L6 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
SCHEMBL13007183 0.95 PTPN1 (0.68) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL30079641 0.94 PTPN1 (0.68) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL4278231 0.94 PTPN1 (0.68) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13007191 0.93 PTPN1 (0.70) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL29934271 0.93 TOP1 (0.61) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL12945048 0.92 TOP1 (0.64) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL21288235 0.91 PTPN1 (0.63) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13559854 0.90 PTPN1 (0.57) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13559849 0.90 PTPN1 (0.57) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL15393756 0.89 TOP1 (0.65) PTPN1TOP1IKBKBNFKB1NFKB2

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