SCHEMBL8554180

SCHEMBL8554180

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 6/20 0.45
▸ LMNA P02545 4/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL8547323 0.86 MAPT (0.42) SMN1; SMN2MAPTLMNAALDH1A1FBP1
SCHEMBL8552707 0.82 ALDH1A1 (0.52) SMN1; SMN2LMNAALDH1A1KDM4EHTT
SCHEMBL8550868 0.82 AKR1C3 (0.43) SMN1; SMN2MAPTLMNAALDH1A1FBP1
SCHEMBL8555352 0.82 NLRP3 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1PKM
SCHEMBL8551386 0.82 MAPT (0.40) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL8552324 0.81 MAPT (0.48) SMN1; SMN2MAPTLMNAALDH1A1KMT2A
SCHEMBL8150606 0.80 GLO1 (0.54) GLO1MAPTLMNAALDH1A1FBP1
SCHEMBL11327355 0.80 GLO1 (0.58) GLO1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL11327350 0.80 GLO1 (0.58) GLO1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL8547870 0.79 PDCD1 (0.43) SMN1; SMN2MAPTLMNAALDH1A1FBP1

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-0611786-B1 Orientation layer for liquid crystals ROLIC AG (CH) 1999-04-14 — — EP disclosed
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