SCHEMBL5908032

SCHEMBL5908032

CC(=CN(O)C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL9347848 0.75 PTGS1 (0.31) PTGS1AKR1C3
SCHEMBL28619119 0.72 PTGS1 (0.36) PTGS1AKR1C3FFAR3LCKFYN
SCHEMBL214693 0.72
SCHEMBL272875 0.72
Chloromethane SCHEMBL10332764 0.68 TDP1 (0.34) PTGS1AKR1C3FFAR3LCKFYN
Chloromethane SCHEMBL2534933 0.68 TDP1 (0.34) PTGS1AKR1C3FFAR3LCKFYN
SCHEMBL29569576 0.68 PTGS1 (0.33) PTGS1AKR1C3FFAR3LCKFYN
SCHEMBL676068 0.67 PTGS1 (0.32) PTGS1AKR1C3FFAR3
SCHEMBL326698 0.67 PTGS1 (0.32) PTGS1AKR1C3FFAR3
SCHEMBL3278616 0.67 PTGS1 (0.32) PTGS1AKR1C3

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
US-20060217485-A1 Pigment dispersant, method of making coating compositions, and coating compositions BASF CORPORATION (US) 2006-09-28 US claimed