SCHEMBL29703307

SCHEMBL29703307

Clc1nc(NCc2cccc(I)c2)c2ncn(C[C@@H]3CCCO3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 15/20 0.68
▸ PPARG P37231 13/20 0.68
▸ ADORA3 P0DMS8 3/20 0.58
▸ ADORA1 P30542 3/20 0.58
▸ ADORA2A P29274 3/20 0.58
▸ CTSL P07711 1/20 0.58

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
SCHEMBL448537 0.84 ADORA3 (0.67) PPARDPPARGADORA3ADORA1ADORA2A
SCHEMBL29703226 0.81 PPARD (1.00) PPARDPPARGADORA3ADORA1ADORA2A
SCHEMBL29703229 0.81 PPARD (1.00) PPARDPPARGADORA3ADORA1ADORA2A
SCHEMBL29703283 0.81 PPARD (1.00) PPARDPPARGADORA3ADORA1ADORA2A
SCHEMBL29703230 0.79 TDP1 (0.59) PPARDPPARGADORA3ADORA1ADORA2A
SCHEMBL29703212 0.79 PPARG (1.00) PPARDPPARGADORA3ADORA1ADORA2A
SCHEMBL29703297 0.79 PPARG (1.00) PPARDPPARGADORA3ADORA1ADORA2A
SCHEMBL27501567 0.79 ADORA3 (0.69) PPARDPPARGADORA3ADORA1ADORA2A
SCHEMBL6820865 0.78 PPARG (0.65) PPARDPPARGADORA3ADORA1ADORA2A
SCHEMBL5197254 0.77 ADORA3 (0.67) PPARDPPARGADORA3ADORA1ADORA2A

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
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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