SCHEMBL9172243

SCHEMBL9172243

CCC(=O)OOC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ RAB9A P51151 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTT P42858 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL6551442 0.87 ALDH1A1 (0.61) CTSDALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL27637438 0.84 ALDH1A1 (0.54) CTSDALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL2289848 0.80 ALDH1A1 (0.61) CTSDALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL1523174 0.80 ALDH1A1 (0.67) CTSDALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL27410518 0.78 CTSD (0.53) CTSDALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL8386067 0.78 SMN1; SMN2 (0.66) CTSDALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL9645112 0.78 ALDH1A1 (0.57) CTSDALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL195311 0.77 ALDH1A1 (0.62) CTSDALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL9647951 0.77 ALDH1A1 (0.58) CTSDALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL3167978 0.77 CTSD (0.59) CTSDALDH1A1SMN1; SMN2GAARAB9A

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
EP-0370644-B1 Herbicidal compounds ZENECA LTD (GB) 1995-06-07 — — EP disclosed
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