SCHEMBL28840440

SCHEMBL28840440

[CH2]C(C(CCCCCCC)S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
FDPS P14324 3/20 0.35
FFAR1 O14842 1/20 0.35
FAAH O00519 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 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
SCHEMBL20206957 0.73 TP53 (0.44) TP53ACE2GPR84FDPSFFAR1
SCHEMBL19661537 0.72 TP53 (0.45) TP53GPR84FDPSFFAR1FAAH
SCHEMBL19135624 0.72 TP53 (0.45) TP53GPR84FDPSFFAR1FAAH
SCHEMBL11402838 0.72 TP53 (0.45) TP53GPR84FDPSFFAR1FAAH
SCHEMBL27265193 0.71 TP53 (0.50) TP53ACE2GPR84FDPSFFAR1
SCHEMBL7520225 0.70 TP53 (0.54) TP53GPR84FDPSFFAR1LMNA
SCHEMBL27984298 0.70 TP53 (0.54) TP53GPR84FDPSFFAR1LMNA
SCHEMBL17424122 0.70 TP53 (0.54) TP53ACE2GPR84FDPSFFAR1
SCHEMBL25991296 0.70 TP53 (0.54) TP53ACE2GPR84FDPSFFAR1
SCHEMBL17676570 0.70 TP53 (0.54) TP53ACE2GPR84FDPSFFAR1

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
CN-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed