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Sugi Predict / Compounds / SCHEMBL28628790

SCHEMBL28628790

SCHEMBL28628790

C=C(CC(CC(=C)C(C)CCCCC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ CA1 P00915 2/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL6049010 0.83 TSHR (0.42) TSHRNAAARAD52NPSR1LMNA
SCHEMBL28628788 0.81 TSHR (0.44) TSHRNAAARAD52NPSR1LMNA
SCHEMBL29898676 0.72 TSHR (0.57) TSHRNAAARAD52NPSR1LMNA
SCHEMBL29117751 0.72 TSHR (0.61) TSHRNAAARAD52NPSR1LMNA
SCHEMBL5432582 0.71 TSHR (0.59) TSHRCA1NAAARAD52NPSR1
SCHEMBL3243083 0.69 CA1 (0.50) CA1ACE2
SCHEMBL7373633 0.69 CA1 (0.50) CA1ACE2
SCHEMBL7255990 0.69 CA1 (0.50) CA1ACE2
SCHEMBL28521007 0.69 CA1 (0.50) CA1ACE2
SCHEMBL28907776 0.69 CA1 (0.50) CA1ACE2

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-113443985-B Cerium dioxide nanoparticle-based organic/inorganic hybrid photoresist composition 中国科学院理化技术研究所 2022-09-09 — — CN disclosed
CN-113443985-A Cerium dioxide nanoparticle-based organic/inorganic hybrid photoresist composition 中国科学院理化技术研究所 2021-09-28 — — CN disclosed