SCHEMBL31411079

SCHEMBL31411079

CCOC(COc1cccc(C(=O)OC)c1C(=O)OC)OCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL31411085 0.87 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL21543727 0.84 HCRTR1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL29773876 0.81 FOLH1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL21543887 0.79 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL21543849 0.77 SMN1; SMN2 (0.51) SLC6A3TSHRALDH1A1LMNAMAPT
SCHEMBL8085961 0.76 LMNA (0.55) SLC6A3TSHRALDH1A1LMNAMAPT
SCHEMBL24947165 0.76 TDP1 (0.48) ALDH1A1LMNAMAPTHTT
SCHEMBL20919657 0.76 SMN1; SMN2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL28127000 0.76 HCRTR1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL23640216 0.75 MAOB (0.52) CA12CA1CA2CA7CA9

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
CN-119954801-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-05-09 — — CN disclosed
CN-114867727-B TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-02-21 — — CN disclosed
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