SCHEMBL29137599

SCHEMBL29137599

CCCCCC1=C(CCCCC)C(O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
LIPG Q9Y5X9 1/20 0.37
PTPN1 P18031 1/20 0.36
GPR3 P46089 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL626668 0.75 BCHE (0.40) BCHEACHE
SCHEMBL9073078 0.73 BCHE (0.38) BCHEACHE
SCHEMBL9070211 0.72 BCHE (0.37) BCHEACHEGPR3
SCHEMBL31619967 0.71 BCHE (0.39) BCHEACHEPTPN1GPR3
SCHEMBL9073633 0.71 BCHE (0.34) BCHEACHE
SCHEMBL9073547 0.71 BCHE (0.34) BCHEACHE
SCHEMBL8752750 0.71 GPR3 (0.54) ACHELIPGGPR3
SCHEMBL8752773 0.71 LIPG (0.47) BCHEACHECYSLTR2CYSLTR1LIPG
SCHEMBL8752769 0.71 SLC6A2 (0.53) ACHELIPGGPR3
SCHEMBL8752749 0.71 LIPG (0.47) CYSLTR2CYSLTR1LIPGNR1H2NR1H3

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-114073688-B Application of 2, 3-diaryl derivative in preparing medicament for treating liver related diseases 中国医学科学院药物研究所 2024-02-06 CN disclosed
CN-114075102-B 2, 3-diaryl indene derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-01-12 CN disclosed