SCHEMBL25021333

SCHEMBL25021333

CCC(=O)OC(C)[C@H](c1ccc(F)cc1C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PYGL P06737 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ EPHX2 P34913 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
SCHEMBL25021265 1.00 HTR2A (0.37) HTR2AHTR2CSLC6A4BCHEACHE
SCHEMBL25021323 0.99 LMNA (0.36) HTR2AHTR2CSLC6A4BCHEACHE
SCHEMBL25021337 0.99 LMNA (0.36) HTR2AHTR2CSLC6A4BCHEACHE
SCHEMBL25021439 0.97 HPGD (0.36) HTR2AHTR2CSLC6A4BCHEACHE
SCHEMBL25021450 0.97 HPGD (0.36) HTR2AHTR2CSLC6A4BCHEACHE
SCHEMBL25021573 0.87 LMNA (0.42) BCHEACHEL3MBTL1RAB9ANPC1
SCHEMBL25021273 0.87 PDE4B (0.38) HTR2CL3MBTL1RAB9ANPC1PTGDR2
SCHEMBL25021272 0.85 PDE4B (0.39) L3MBTL1RAB9ANPC1PTGDR2HPGD
SCHEMBL20348329 0.84 DPP9 (0.39) HTR2AHTR2CSLC6A4RAB9ANPC1
SCHEMBL20348325 0.84 DPP9 (0.39) HTR2AHTR2CSLC6A4RAB9ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3565410-B1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC (US) 2023-02-15 — — EP disclosed
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