SCHEMBL19720271

SCHEMBL19720271

O=C(O)CCC(=O)CNNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 4/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2C19 P33261 2/20 0.47
ALOX5 P09917 2/20 0.43
NR4A2 P43354 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
FFAR1 O14842 1/20 0.41
PTGS2 P35354 1/20 0.40
ABAT P80404 1/20 0.40
KEAP1 Q14145 1/20 0.39
CTSD P07339 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7995452 0.82 ABAT (0.50) GAAALDH1A1CYP2C19ALOX5CYP3A4
SCHEMBL6569047 0.81 FFAR1 (0.51) L3MBTL1GAAALDH1A1CYP2C19NR4A2
SCHEMBL27464764 0.79 CA12 (0.50) L3MBTL1GAAALDH1A1CYP2C19ALOX5
SCHEMBL6941758 0.76 ATM (0.50) L3MBTL1GAAALDH1A1ALOX5MAPT
SCHEMBL10346557 0.75 ALOX5 (0.55) GAAALDH1A1CYP2C19ALOX5CYP3A4
SCHEMBL491040 0.73 ALOX5 (0.70) L3MBTL1GAAALOX5CYP3A4TSHR
SCHEMBL10725547 0.72 MMP12 (0.50) GAAALDH1A1TSHRFFAR1MEN1
SCHEMBL16763415 0.71 ALDH1A1 (0.55) L3MBTL1GAAALDH1A1CYP2C19ALOX5
SCHEMBL9169325 0.70 GAA (0.57) GAAALDH1A1CYP2C19NR4A2MAPT
SCHEMBL27870319 0.70 KEAP1 (0.48) GAAALDH1A1CYP2C19FFAR1KEAP1

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
EP-2285773-B1 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2017-12-20 EP disclosed