SCHEMBL8555564

SCHEMBL8555564

C=CC(=O)NCCC/C(=C\c1cccc(OC)c1OC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.45
▸ PTGES O14684 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ TGM2 P21980 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DRD2 P14416 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ GAA P10253 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
SCHEMBL25260549 0.78 PTGES (0.62) NFE2L2PTGESALOX5HPGDKDM4E
SCHEMBL25297359 0.76 ALOX5 (0.58) NFE2L2PTGESALOX5HPGDKDM4E
SCHEMBL8557510 0.73 LY96 (0.55) ALDH1A1TGM2SMN1; SMN2MEN1KMT2A
SCHEMBL8157285 0.73 NFE2L2 (0.44) NFE2L2PTGESALOX5HPGDKDM4E
SCHEMBL10803598 0.73 SMN1; SMN2 (0.50) HPGDKDM4EALDH1A1LMNATGM2
SCHEMBL8547091 0.73 GAA (0.39) HPGDKDM4ELMNATGM2SMN1; SMN2
SCHEMBL4845329 0.71 NFE2L2 (0.56) NFE2L2ALOX5HPGDKDM4EALDH1A1
SCHEMBL4845335 0.71 NFE2L2 (0.56) NFE2L2ALOX5HPGDKDM4EALDH1A1
SCHEMBL8547344 0.71 TGM2 (0.38) TGM2MEN1KMT2AGAA
SCHEMBL8550135 0.70 ALDH1A1 (0.47) NFE2L2HPGDKDM4EALDH1A1LMNA

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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