SCHEMBL25021272

SCHEMBL25021272

CCC(=O)OC(C)C(c1ccc(F)cc1OC)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.39
▸ KCNH2 Q12809 3/20 0.36
▸ FFAR1 O14842 3/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL25021273 0.99 PDE4B (0.38) PDE4BKCNH2FFAR1NPC1RAB9A
SCHEMBL25021271 0.98 PDE4B (0.39) PDE4BKCNH2FFAR1HPGD
SCHEMBL25021337 0.86 LMNA (0.36) FFAR1NPC1RAB9APTGDR2HPGD
SCHEMBL25021323 0.86 LMNA (0.36) FFAR1NPC1RAB9APTGDR2HPGD
SCHEMBL25021265 0.85 HTR2A (0.37) NPC1RAB9APTGDR2HPGDL3MBTL1
SCHEMBL25021333 0.85 HTR2A (0.37) NPC1RAB9APTGDR2HPGDL3MBTL1
SCHEMBL20348349 0.84 DPP9 (0.37) KCNH2NPC1RAB9ACYP2D6GRIN2B
SCHEMBL20348345 0.84 DPP9 (0.37) KCNH2NPC1RAB9ACYP2D6GRIN2B
SCHEMBL25021450 0.84 HPGD (0.36) FFAR1HPGDL3MBTL1
SCHEMBL25021439 0.84 HPGD (0.36) FFAR1HPGDL3MBTL1

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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