SCHEMBL8553499

SCHEMBL8553499

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 3/20 0.48
▸ MAPT P10636 11/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ APEX1 P27695 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FBP1 P09467 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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) MAPTALDH1A1MEN1KMT2AAPEX1
SCHEMBL6915911 0.82 FBP1 (0.53) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL8551807 0.82 TGM2 (0.43) TGM2MAPTALDH1A1MEN1KMT2A
SCHEMBL8547481 0.82 TGM2 (0.43) TGM2MAPTALDH1A1MEN1KMT2A
SCHEMBL8546512 0.82 VCAM1 (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8549416 0.79 TGM2 (0.47) TGM2LMNASMN1; SMN2
SCHEMBL8546509 0.79 TGM2 (0.47) TGM2MAPTALDH1A1MEN1KMT2A
SCHEMBL8550291 0.79 ALDH1A1 (0.39) TGM2MAPTALDH1A1MEN1KMT2A
SCHEMBL8550858 0.78 ALDH1A1 (0.47) TGM2MAPTALDH1A1MEN1KMT2A
SCHEMBL8555056 0.78 THRB (0.43) TGM2ALDH1A1SMN1; SMN2GAA

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
Send feedback