SCHEMBL7362094

SCHEMBL7362094

CCOc1cccc(C=O)c1OCCO[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 5/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 3/20 0.38
ALOX12 P18054 1/20 0.38
NTSR1 P30989 1/20 0.38
CCR6 P51684 1/20 0.38
MCL1 Q07820 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 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
SCHEMBL9148490 0.88 NPC1 (0.53) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL181586 0.81 ALDH1A1 (0.50) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL29922833 0.81 ALDH1A1 (0.50) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL30598769 0.81 L3MBTL1 (0.51) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL7363630 0.80 ALDH1A1 (0.70) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL30485561 0.79 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL7360395 0.79 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL7494720 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL26091873 0.77 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL29923063 0.77 ALDH1A1 (0.58) ALDH1A1MAPTHPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385922-A Cardiovascular and gastrointestinal disorders; antiischemic and cardiotonic agents CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-31 US disclosed
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 US disclosed
EP-0547104-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-06-23 EP disclosed
EP-0541634-A1 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-05-19 EP disclosed
WO-1992004337-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-03-19 WO disclosed
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 WO disclosed