SCHEMBL9774580

SCHEMBL9774580

COC(=O)CC(C)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL9774519 1.00 ALDH1A1 (0.46) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL9774544 0.98 MAPT (0.47) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL13778238 0.83 TSHR (0.38) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL6542505 0.81 MAPT (0.47) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL7107045 0.81 GLA (0.46) ALDH1A1MAPTSMN1; SMN2NPSR1L3MBTL1
SCHEMBL8473914 0.81 CHRM5 (0.41) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL7935848 0.79 DPP7 (0.49) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL3271825 0.79 ALDH1A1 (0.45) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL1860729 0.79 TSHR (0.43) ALDH1A1MAPTPOLBSMN1; SMN2TDP1
SCHEMBL2968888 0.78 L3MBTL1 (0.54) ALDH1A1MAPTPOLBSMN1; SMN2TDP1

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-4985556-A INTERMEDIATES AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1991-01-15 US disclosed