SCHEMBL8550858

SCHEMBL8550858

C=CC(=O)NCCCC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 7/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GLO1 Q04760 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL7814477 0.82 GLO1 (0.48) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7814475 0.82 GLO1 (0.48) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6666853 0.80 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11500735 0.79 GLO1 (0.56) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11500736 0.79 GLO1 (0.56) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8555523 0.79 TGM2 (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2HPGD
SCHEMBL8553499 0.78 TGM2 (0.48) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL8554180 0.77 GLO1 (0.51) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL11327350 0.77 GLO1 (0.58) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11327355 0.77 GLO1 (0.58) ALDH1A1MAPTKMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611786-B1 Orientation layer for liquid crystals ROLIC AG (CH) 1999-04-14 — — EP disclosed
EP-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
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