SCHEMBL14879240

SCHEMBL14879240

COC(C)(C)CCOC(C)(C)CCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.47
▸ BCL9 O00512 1/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL14780819 0.93 HTR2A (0.49) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL13474589 0.90 HTR2A (0.48) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL25135345 0.88 HTR2A (0.49) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL14712301 0.87 HTR2A (0.46) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL23915970 0.86 HTR2A (0.44) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL17208858 0.83 HTR2A (0.48) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL14607613 0.83 HTR2A (0.50) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL22546645 0.82 HTR2A (0.44) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL21097079 0.81 HTR2A (0.52) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL7080623 0.80 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT

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-1694274-B1 Glycopegylated granulocyte colony stimulating factor BIOGENERIX AG (DE) 2013-04-24 — — EP disclosed
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