SCHEMBL28619119

SCHEMBL28619119

CC(=CN(C=C(C)C(=O)O)C=C(C)C(=O)O)C(=O)O.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
AKR1C3 P42330 1/20 0.36
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 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
SCHEMBL214693 0.77
SCHEMBL272875 0.77
SCHEMBL28722737 0.76 ALDH1A1 (0.31)
SCHEMBL29569576 0.72 PTGS1 (0.33) PTGS1AKR1C3FFAR3LCKFYN
SCHEMBL5908032 0.72 PTGS1 (0.33) PTGS1AKR1C3FFAR3LCKFYN
Chloromethane SCHEMBL10332764 0.72 TDP1 (0.34) PTGS1AKR1C3FFAR3LCKFYN
Chloromethane SCHEMBL2534933 0.72 TDP1 (0.34) PTGS1AKR1C3FFAR3LCKFYN
SCHEMBL28215198 0.71
SCHEMBL3278616 0.70 PTGS1 (0.32) PTGS1AKR1C3
SCHEMBL676068 0.70 PTGS1 (0.32) PTGS1AKR1C3FFAR3

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-108946858-B Sewage nitrogen and phosphorus removal agent and preparation method thereof 江苏艾特克环境工程有限公司 2021-08-20 CN disclosed