Sugi Predict

Sugi Predict / Compounds / SCHEMBL28554530

SCHEMBL28554530

SCHEMBL28554530

C=C(C)C(=O)OCCCOc1ccc(CC(C)c2cc(OCC)c(OC(=O)C(=C)C)c(OCC)c2OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ACACB O00763 15/20 0.38
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36

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
SCHEMBL31099298 0.82 POLB (0.41) POLBAPEX1HTTTDP1ACACB
SCHEMBL15124043 0.82 POLB (0.41) POLBAPEX1HTTTDP1ACACB
SCHEMBL5698005 0.78 ALDH1A1 (0.34) HTTTDP1
SCHEMBL29601329 0.78 ALDH1A1 (0.34) HTTTDP1
SCHEMBL27895655 0.76 TSHR (0.41) HTTPPARG
SCHEMBL30384808 0.76 MEN1 (0.34) —
SCHEMBL14874589 0.76 MEN1 (0.34) —
SCHEMBL7084293 0.74 ALDH1A1 (0.34) HTTTDP1
SCHEMBL690787 0.72 HTT (0.67) POLBAPEX1HTTTDP1
SCHEMBL5211513 0.71 POLB (0.65) POLBAPEX1HTTTDP1

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-108697586-B Photopolymerization initiator and photocurable composition 株式会社德山齿科 2021-07-06 — — CN disclosed
CN-112639017-A Composite material, curable composition, and method for producing curable composition 株式会社德山齿科 2021-04-09 — — CN disclosed