SCHEMBL25021573

SCHEMBL25021573

CCC(=O)OC(C)C(c1ccc(C)cc1C)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ADRB2 P07550 1/20 0.36

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
SCHEMBL25021455 0.89 LMNA (0.41) LMNAHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL25022706 0.88 LMNA (0.40) LMNAHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL25021323 0.88 LMNA (0.36) LMNAHPGDL3MBTL1KDM4EPOLB
SCHEMBL25021337 0.88 LMNA (0.36) LMNAHPGDL3MBTL1KDM4EPOLB
SCHEMBL25021333 0.87 HTR2A (0.37) LMNAHPGDL3MBTL1KDM4EBCHE
SCHEMBL25021265 0.87 HTR2A (0.37) LMNAHPGDL3MBTL1KDM4EBCHE
SCHEMBL25022395 0.87 HPGD (0.39) LMNAHPGDL3MBTL1ALDH1A1KDM4E
SCHEMBL25021439 0.86 HPGD (0.36) LMNAHPGDL3MBTL1POLBBCHE
SCHEMBL25021450 0.86 HPGD (0.36) LMNAHPGDL3MBTL1POLBBCHE
SCHEMBL20348340 0.83 LMNA (0.39) LMNAHPGDL3MBTL1ALDH1A1KDM4E

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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