SCHEMBL4743247

SCHEMBL4743247

CC(C)(C)OC(=O)C(N)CCN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
ARG1 P05089 2/20 0.34
HPGD P15428 1/20 0.34
ARG2 P78540 1/20 0.34
LTA4H P09960 1/20 0.34
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB2 P49721 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
NOS1 P29475 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
SCHEMBL485946 0.84 ANPEP (0.42) L3MBTL1MAPTALDH1A1POLBHPGD
SCHEMBL19927629 0.84 KCNA3 (0.39) SMN1; SMN2ARG1ARG2LTA4H
SCHEMBL11200711 0.84 KEAP1 (0.38) SMN1; SMN2
SCHEMBL2444748 0.82 MAPT (0.43) L3MBTL1MAPTALDH1A1POLBCYP1A2
Hydrochloric Acid SCHEMBL31323938 0.81 MAPT (0.42) L3MBTL1MAPTALDH1A1POLBHTT
Hydrochloric Acid SCHEMBL2444753 0.81 MAPT (0.42) L3MBTL1MAPTALDH1A1POLBHTT
Hydrochloric Acid SCHEMBL2444744 0.81 MAPT (0.42) L3MBTL1MAPTALDH1A1POLBHTT
SCHEMBL8798524 0.79 KDM4E (0.34) L3MBTL1ALDH1A1POLBSMN1; SMN2ACHE
SCHEMBL18939466 0.79 MAPT (0.38) L3MBTL1MAPTALDH1A1POLBCYP1A2
SCHEMBL18939464 0.79 MAPT (0.38) L3MBTL1MAPTALDH1A1POLBCYP1A2

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
WO-2008110351-A2 USE OF (R) AND (S)-2-ARYL-PROPIONIC ACID DERIVATIVES AS ANTISEPTIC AGENTS DOMPE' PHA.R.MA S.P.A. (IT) 2008-09-18 WO disclosed