SCHEMBL25021273

SCHEMBL25021273

CCC(=O)OC(C)C(c1ccc(F)cc1OC)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ HTR2C P28335 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
SCHEMBL25021272 0.99 PDE4B (0.39) PDE4BNPC1RAB9AALDH1A1HPGD
SCHEMBL25021271 0.97 PDE4B (0.39) PDE4BHPGDKCNH2FFAR1
SCHEMBL25021265 0.87 HTR2A (0.37) NPC1RAB9AHPGDPTGDR2L3MBTL1
SCHEMBL25021333 0.87 HTR2A (0.37) NPC1RAB9AHPGDPTGDR2L3MBTL1
SCHEMBL25021337 0.85 LMNA (0.36) NPC1RAB9AHPGDPTGDR2L3MBTL1
SCHEMBL25021323 0.85 LMNA (0.36) NPC1RAB9AHPGDPTGDR2L3MBTL1
SCHEMBL20348360 0.85 DPP9 (0.38) NPC1RAB9AALDH1A1HPGDPTGDR2
SCHEMBL20348344 0.85 DPP9 (0.38) NPC1RAB9AALDH1A1HPGDPTGDR2
SCHEMBL20348349 0.83 DPP9 (0.37) NPC1RAB9AKCNH2
SCHEMBL20348345 0.83 DPP9 (0.37) NPC1RAB9AKCNH2

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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