SCHEMBL29703255

SCHEMBL29703255

OC1COC(Cn2cnc3c(NCc4cccc(I)c4)ncnc32)C1O

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 6/20 0.77
▸ PPARG P37231 5/20 0.77
▸ ADORA3 P0DMS8 10/20 0.72
▸ ADORA2A P29274 9/20 0.72
▸ ADORA1 P30542 7/20 0.72
▸ ADORA2B P29275 1/20 0.59

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
SCHEMBL29703315 1.00 PPARD (0.77) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703211 0.90 ADORA3 (0.71) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703289 0.90 ADORA3 (0.71) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703224 0.89 PPARD (0.79) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703227 0.89 PPARD (0.77) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703303 0.89 PPARD (0.77) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703272 0.89 PPARD (0.79) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703226 0.87 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703229 0.87 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703283 0.87 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1

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
WO-2022124859-A1 1'-HOMOADENOSNE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HYPOADIPONECTINEMIA-ASSOCIATED DISEASES OR PSORIASIS, CONTAINING SAME AS ACTIVE INGREDIENT 서울대학교산학협력단 2022-06-16 — — WO claimed
WO-2022124859-A1 1'-HOMOADENOSNE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HYPOADIPONECTINEMIA-ASSOCIATED DISEASES OR PSORIASIS, CONTAINING SAME AS ACTIVE INGREDIENT 서울대학교산학협력단 2022-06-16 — — WO disclosed
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