SCHEMBL17659010

SCHEMBL17659010

O=C(O)CN1CCN(c2cc(O)ccc2O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.45
ALDH1A1 P00352 3/20 0.45
NSD2 O96028 1/20 0.44
ALPL P05186 1/20 0.44
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42
MAPT P10636 4/20 0.42
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
S1PR1 P21453 1/20 0.41
ALOX15 P16050 1/20 0.40
HPGD P15428 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
SCHEMBL17659681 0.81 GAA (0.41) GAAALDH1A1LMNAMAPTALOX15
SCHEMBL29236372 0.81 GAA (0.41) GAAALDH1A1LMNAMAPTALOX15
SCHEMBL17659026 0.80 GAA (0.48) GAAALDH1A1LMNAMAPTALOX15
SCHEMBL17659014 0.74 ALDH1A1 (0.50) GAAALDH1A1LMNAGFERMAPT
SCHEMBL17659703 0.74 MEN1 (0.40) GAAALDH1A1LMNAGFERMAPT
SCHEMBL17659670 0.73 LMNA (0.47) GAAALDH1A1LMNAGFERMAPT
SCHEMBL17659123 0.73 DRD2 (0.51) GAAALDH1A1MAPT
SCHEMBL17659041 0.73 ALOX15 (0.58) GAAALDH1A1LMNAMAPTALOX15
SCHEMBL17658986 0.73 CYP2D6 (0.45) ALDH1A1
SCHEMBL3926124 0.72 KMT2A (0.42) GAAALDH1A1LMNAMAPTALOX15

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-2016051799-A1 2-AMINOHYDROQUINONE DERIVATIVE AND TAU AGGREGATION INHIBITOR 学校法人同志社 2016-04-07 WO disclosed