SCHEMBL2890482

SCHEMBL2890482

CC(N)O.CCCCCCCCN1CC(C(=O)O)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
GBA1 P04062 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL2889307 0.93 POLB (0.49) POLBKMT2AMEN1CYP2C19L3MBTL1
SCHEMBL8076306 0.92 POLB (0.56) POLBKMT2AMEN1CYP2C19L3MBTL1
SCHEMBL2890516 0.92 POLB (0.56) POLBKMT2AMEN1CYP2C19L3MBTL1
SCHEMBL15082405 0.92 POLB (0.56) POLBKMT2AMEN1CYP2C19L3MBTL1
SCHEMBL8084223 0.92 POLB (0.56) POLBKMT2AMEN1CYP2C19L3MBTL1
SCHEMBL8084202 0.92 POLB (0.56) POLBKMT2AMEN1CYP2C19L3MBTL1
SCHEMBL14477954 0.92 POLB (0.56) POLBKMT2AMEN1CYP2C19L3MBTL1
SCHEMBL119623 0.92 POLB (0.56) POLBKMT2AMEN1CYP2C19L3MBTL1
SCHEMBL14477978 0.92 POLB (0.56) POLBKMT2AMEN1CYP2C19L3MBTL1
SCHEMBL1283867 0.92 POLB (0.56) POLBKMT2AMEN1CYP2C19L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349215-B2 Corrosion inhibitors having increased biological degradability and minimized toxicity CLARIANT FINANCE (BVI) LIMITED (VG) 2013-01-08 US disclosed
US-20100283010-A1 Corrosion Inhibitors Having Increased Biological Degradability And Minimized Toxicity CLARIANT FINANCE (BVI) LIMITED (VG) 2010-11-11 US disclosed