SCHEMBL8551386

SCHEMBL8551386

C=C(C)C(=O)NCC/C(=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.40
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ THRB P10828 1/20 0.35

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 0.83 MAPT (0.42) MAPTALDH1A1KMT2ATDP1HTT
SCHEMBL8554180 0.82 GLO1 (0.51) MAPTALDH1A1KMT2AHTTMAPK1
SCHEMBL8157290 0.81 MAPT (0.41) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL8158569 0.79 TDP1 (0.43) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL8555523 0.79 TGM2 (0.42) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL8552324 0.78 MAPT (0.48) MAPTGAAALDH1A1KMT2AHTT
SCHEMBL8552120 0.75 RAB9A (0.35) MAPTGAAALDH1A1KMT2AHTT
SCHEMBL4019892 0.74 ALDH1A1 (0.51) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL4019895 0.74 ALDH1A1 (0.51) MAPTGAAALDH1A1KMT2ATDP1
SCHEMBL8548079 0.73 CA1 (0.41) GAAALDH1A1

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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