SCHEMBL8550135

SCHEMBL8550135

C=CC(=O)NCC/C(=C\c1ccc(OC)c(OC)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ PKM P14618 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ NFE2L2 Q16236 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ APP P05067 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ STAT1 P42224 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
SCHEMBL8550020 0.85 GAA (0.48) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL8546509 0.84 TGM2 (0.47) ALDH1A1KDM4EPKMMAPTSMN1; SMN2
SCHEMBL8555909 0.81 EGFR (0.33) ALDH1A1KDM4EPKMPOLBGAA
SCHEMBL8547481 0.80 TGM2 (0.43) ALDH1A1POLBTDP1MAPTSMN1; SMN2
SCHEMBL8557510 0.79 LY96 (0.55) ALDH1A1GAAMAPTSMN1; SMN2MEN1
SCHEMBL8545460 0.79 ALDH1A1 (0.34) ALDH1A1GAATDP1MAPTSMN1; SMN2
SCHEMBL9408933 0.79 PYGL (0.50) ALDH1A1POLBHTTHPGDMAPK1
SCHEMBL10335578 0.78 GAA (0.56) ALDH1A1KDM4EPKMPOLBGAA
SCHEMBL10335328 0.78 GAA (0.56) ALDH1A1KDM4EPKMPOLBGAA
SCHEMBL8551807 0.77 TGM2 (0.43) ALDH1A1POLBGAATDP1MAPT

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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