SCHEMBL6844406

SCHEMBL6844406

CC(O)CN(CC(C)O)c1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.46
IDO1 P14902 2/20 0.45
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 3/20 0.44
ALDH3A1 P30838 2/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TLR9 Q9NR96 1/20 0.42
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 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
SCHEMBL15049708 0.76 HCAR3 (0.63) HCAR3ALDH1A1MAPTNPSR1HTT
SCHEMBL28715157 0.75 IDO1 (0.52) HCAR3IDO1ALDH1A1MAPTNPSR1
SCHEMBL5821559 0.75 HCAR3 (0.48) HCAR3ALDH1A1MAPTNPSR1HTT
SCHEMBL18676266 0.74 ALDH1A1 (0.55) HCAR3IDO1ALDH1A1MAPTNPSR1
SCHEMBL7155802 0.74 ALOX15 (0.51) MAPTALOX12BACE1ALOX15ESR1
SCHEMBL182012 0.74 HCAR3 (0.49) HCAR3ALDH1A1MAPTNPSR1HTT
SCHEMBL7098819 0.73 ALDH3A1 (0.47) HCAR3ALDH1A1MAPTNPSR1HTT
SCHEMBL9760048 0.72 HCAR3 (0.47) HCAR3ALDH1A1MAPTNPSR1HTT
SCHEMBL688642 0.72 HCAR3 (0.51) HCAR3ALDH1A1MAPTNPSR1HTT
SCHEMBL16097975 0.72 ALDH1A1 (0.53) HCAR3IDO1ALDH1A1MAPTNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430874-A2 4-N, N-Bis-(monohydroxyalkyl)amino-3-nitrophenol derivatives in dyeing compositions for keratinic fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-23 EP claimed
EP-1430874-A2 4-N, N-Bis-(monohydroxyalkyl)amino-3-nitrophenol derivatives in dyeing compositions for keratinic fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-23 EP disclosed