SCHEMBL8552324

SCHEMBL8552324

C=C(C)C(=O)NCC/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MITF O75030 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ RAB9A P51151 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ VCAM1 P19320 1/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 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
SCHEMBL8554286 0.86 PYGL (0.42) ALDH1A1SMN1; SMN2LMNANPC1KDM4E
SCHEMBL8546512 0.85 VCAM1 (0.44) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL8547323 0.82 MAPT (0.42) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL8152002 0.81 MAPT (0.42) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL8554180 0.81 GLO1 (0.51) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8552779 0.81 DPEP1 (0.41) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL8551925 0.80 GRIK1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL8153015 0.80 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL8555352 0.78 NLRP3 (0.46) ALDH1A1SMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL8551386 0.78 MAPT (0.40) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E

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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