SCHEMBL29773880

SCHEMBL29773880

CC(O)C#Cc1ccc(OC2CC(Oc3ccc(Br)cn3)C2)cn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.36
▸ ACACB O00763 13/20 0.34
▸ ACACA Q13085 3/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31

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
SCHEMBL27097985 1.00 DGAT1 (0.36) DGAT1ACACBACACAFFAR1GRIN1
SCHEMBL27145178 0.90 ACACB (0.33) DGAT1ACACBACACA
SCHEMBL27097988 0.90 ACACB (0.33) DGAT1ACACBACACA
SCHEMBL29773877 0.90 ACACB (0.32) DGAT1ACACBACACA
SCHEMBL27097991 0.85 DGAT1 (0.33) DGAT1ACACBACACAFFAR1
SCHEMBL29547833 0.85 DGAT1 (0.33) DGAT1ACACBACACAFFAR1
SCHEMBL27138595 0.85 DGAT1 (0.33) DGAT1ACACBACACAFFAR1
SCHEMBL29547446 0.81 TSHR (0.33) DGAT1ACACBACACAGRIN1GRIN2B
SCHEMBL27097982 0.81 TSHR (0.33) DGAT1ACACBACACAGRIN1GRIN2B
SCHEMBL27139155 0.81 TSHR (0.33) DGAT1ACACBACACAGRIN1GRIN2B

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 3 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
CN-114867727-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2022-08-05 — — CN disclosed
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