SCHEMBL3539101

SCHEMBL3539101

B(Oc1ccccc1N1CCOCC1)Oc1ccccc1N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
POLB P06746 3/20 0.55
GAA P10253 6/20 0.51
ALDH1A1 P00352 4/20 0.51
AKR1C3 P42330 1/20 0.49
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
DRD4 P21917 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL3173622 0.80 AKR1C3 (0.70) MAPTPOLBGAAALDH1A1AKR1C3
SCHEMBL6867319 0.80 MAPT (0.56) MAPTPOLBGAAALDH1A1AKR1C3
SCHEMBL12527300 0.79 AKR1C3 (0.68) MAPTPOLBGAAALDH1A1AKR1C3
SCHEMBL9424119 0.78 LMNA (0.62) MAPTPOLBGAAALDH1A1AKR1C3
Nitrogen SCHEMBL9845855 0.77 AKR1C3 (0.67) MAPTPOLBGAAALDH1A1AKR1C3
SCHEMBL7882873 0.76 MAPT (0.52) MAPTPOLBGAAALDH1A1AKR1C3
SCHEMBL19527583 0.76 MAPT (0.52) MAPTPOLBGAAALDH1A1AKR1C3
SCHEMBL28195181 0.76 MAPT (0.58) MAPTPOLBGAAALDH1A1AKR1C3
Acetone SCHEMBL28526339 0.75 POLB (0.62) MAPTPOLBGAAALDH1A1AKR1C3
SCHEMBL11138887 0.73 POLB (0.69) MAPTPOLBGAAALDH1A1AKR1C3

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-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed