SCHEMBL8866941

SCHEMBL8866941

CCOC(=O)c1cc([N+](=O)[O-])cn1CCC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
AR P10275 3/20 0.43
MAPT P10636 6/20 0.42
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
POLB P06746 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1F O60840 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37

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
SCHEMBL8867147 0.93 AR (0.41) NPC1ARMAPTNOD2NOD1
SCHEMBL5889676 0.87 NPC1 (0.47) NPC1ARMAPTNOD2NOD1
SCHEMBL20644785 0.84 AR (0.46) NPC1ARMAPTNOD2NOD1
SCHEMBL14099809 0.84 NPC1 (0.44) NPC1ARMAPTNOD2NOD1
SCHEMBL7258024 0.84 NPC1 (0.44) NPC1ARMAPTNOD2NOD1
SCHEMBL26106290 0.84 NPC1 (0.44) NPC1ARMAPTNOD2NOD1
SCHEMBL1844676 0.82 NPC1 (0.43) NPC1ARMAPTNOD2NOD1
SCHEMBL3477514 0.80 AR (0.57) NPC1ARMAPTNOD2NOD1
SCHEMBL20644782 0.80 AR (0.41) NPC1ARMAPTNOD2NOD1
SCHEMBL5680354 0.80 NPC1 (0.45) NPC1ARMAPTNOD2NOD1

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-5698674-A ANTIBIOTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-16 US disclosed