SCHEMBL25021271

SCHEMBL25021271

CCC(=O)OC(C)C(c1ccc(F)cc1OC)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.39
▸ KCNH2 Q12809 2/20 0.36
▸ FFAR1 O14842 3/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CDK3 Q00526 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 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
SCHEMBL25021272 0.98 PDE4B (0.39) PDE4BKCNH2FFAR1HPGD
SCHEMBL25021273 0.97 PDE4B (0.38) PDE4BKCNH2FFAR1HPGD
SCHEMBL25021450 0.86 HPGD (0.36) FFAR1MEN1KMT2AHPGD
SCHEMBL25021439 0.86 HPGD (0.36) FFAR1MEN1KMT2AHPGD
SCHEMBL20348347 0.84 JAK2 (0.35) KCNH2CCNT1CDK1CCNB1CCNE1
SCHEMBL20348350 0.84 JAK2 (0.35) KCNH2CCNT1CDK1CCNB1CCNE1
SCHEMBL25021337 0.84 LMNA (0.36) FFAR1HPGD
SCHEMBL25021323 0.84 LMNA (0.36) FFAR1HPGD
SCHEMBL25021265 0.83 HTR2A (0.37) HPGD
SCHEMBL25021333 0.83 HTR2A (0.37) HPGD

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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