SCHEMBL21344722

SCHEMBL21344722

CC(=O)NCC(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(C)cc1C)C(=O)C2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL21343905 0.89 FFAR4 (0.32) ALDH1A1
SCHEMBL22992170 0.88 HSP90AA1 (0.33) HSP90AA1HSP90AB1KDM4EALDH1A1LMNA
SCHEMBL24426540 0.87 MEN1 (0.33) ALDH1A1
SCHEMBL21343740 0.85 MEN1 (0.36) ALDH1A1
SCHEMBL21361221 0.83 USP2 (0.40) ALDH1A1
SCHEMBL21343687 0.81 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL21343876 0.78 MGLL (0.33) TLR8TLR7
SCHEMBL21344745 0.78 FFAR4 (0.32)
SCHEMBL22992069 0.77
SCHEMBL21344733 0.76 KDM4E (0.34) KDM4EALDH1A1

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
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO disclosed