SCHEMBL8547323

SCHEMBL8547323

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ APEX1 P27695 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GLA P06280 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8554180 0.86 GLO1 (0.51) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8551274 0.84 PLAAT3 (0.41) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL8552707 0.83 ALDH1A1 (0.52) LMNASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL8551386 0.83 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL8553499 0.83 TGM2 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8551925 0.83 GRIK1 (0.46) SMN1; SMN2HTTALDH1A1NPC1RAB9A
SCHEMBL8550399 0.83 ALDH1A1 (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8552324 0.82 MAPT (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8548352 0.81 SMN1; SMN2 (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8550978 0.81 MAPT (0.46) MAPTMEN1KMT2ALMNASMN1; 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
Send feedback