SCHEMBL6860120

SCHEMBL6860120

O=C(ON(C1CCCCC1)C1CCCCC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSD P07339 1/20 0.46
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3456356 0.77 HPGD (0.62) ALDH1A1HTTLMNASMN1; SMN2KMT2A
SCHEMBL1071410 0.76 ALDH1A1 (0.58) ALDH1A1HTTSMN1; SMN2CTSDKMT2A
SCHEMBL28842777 0.74 ALDH1A1 (0.54) ALDH1A1HTTLMNAPOLBSMN1; SMN2
SCHEMBL27577095 0.74 POLB (0.53) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL7505914 0.73 MEN1 (0.46) ALDH1A1HTTLMNAPOLBSMN1; SMN2
SCHEMBL31255865 0.73 CTSD (0.59) ALDH1A1HTTLMNAPOLBSMN1; SMN2
SCHEMBL8576742 0.73 CTSD (0.59) ALDH1A1HTTLMNAPOLBSMN1; SMN2
SCHEMBL6551442 0.72 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2CTSDKMT2A
SCHEMBL2289848 0.72 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2CTSDKMT2A
SCHEMBL16057330 0.72 ALDH1A1 (0.53) ALDH1A1HTTLMNASMN1; SMN2CTSD

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-6787065-B1 POLYMER; MINERAL FILLER COMPRISING CHALK, CARBONATE, TALC, CLAY, AND SILICA; AND MINERAL OR POLYETHYLENE WAX SOLID OR PASTY STRUCTURING AGENT; METAL PART PROTECTION HENKEL KGAA (DE) 2004-09-07 US disclosed