SCHEMBL8550020

SCHEMBL8550020

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ EGFR P00533 1/20 0.46
▸ PLAAT3 P53816 1/20 0.45
▸ PLAAT5 Q96KN8 1/20 0.45
▸ PLAAT2 Q9NWW9 1/20 0.45
▸ PLAAT4 Q9UL19 1/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ HPGD P15428 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CAPN1 P07384 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ TRPM5 Q9NZQ8 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ CTDSP1 Q9GZU7 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
SCHEMBL8550135 0.85 ALDH1A1 (0.47) GAATDP1ALDH1A1HPGDNFE2L2
SCHEMBL8550978 0.84 MAPT (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8551609 0.83 EGFR (0.39) GAATDP1EGFRALDH1A1HPGD
SCHEMBL8544757 0.82 PTGES (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8554588 0.81 TRPA1 (0.38) GAATDP1EGFRALDH1A1HPGD
SCHEMBL8554286 0.81 PYGL (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8551274 0.80 PLAAT3 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8552707 0.80 ALDH1A1 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8550399 0.79 ALDH1A1 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8551925 0.79 GRIK1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1

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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