SCHEMBL19246724

SCHEMBL19246724

NN(C(=O)C1CCCCC1)c1ccc(CCCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
CYP2D6 P10635 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
GABRA1 P14867 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
EPHX2 P34913 1/20 0.45
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 3/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2464249 0.77 HTT (0.50) SMN1; SMN2ALDH1A1LMNAHDAC3HDAC1
Hydrochloric Acid SCHEMBL11830306 0.75 HTT (0.49) SMN1; SMN2ALDH1A1LMNAHDAC3HDAC1
SCHEMBL20268246 0.75 HTT (0.51) SMN1; SMN2ALDH1A1LMNAHDAC3HDAC1
SCHEMBL6425135 0.74 CNR2 (0.52) SMN1; SMN2MAPTALDH1A1HSD17B10CNR2
SCHEMBL10102854 0.73 CCR5 (0.60) SMN1; SMN2MAPTALDH1A1LMNAEPHX2
SCHEMBL7101616 0.73 FFAR4 (0.60) SMN1; SMN2EPHX2FFAR4HDAC3MAPK1
SCHEMBL19265536 0.72 CNR2 (0.50) SMN1; SMN2MAPTALDH1A1CNR2EPHX1
SCHEMBL2259800 0.72 HTT (0.51) SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6208836 0.71 SMN1; SMN2 (0.82) SMN1; SMN2CYP2D6MAPTALDH1A1GMNN
SCHEMBL2356277 0.69 SMN1; SMN2 (0.51) SMN1; SMN2CYP2D6MAPTALDH1A1GMNN

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-2409569-B1 Method for administering GLP-1 molecules EMISPHERE TECH INC (US) 2017-08-16 EP disclosed