SCHEMBL8547091

SCHEMBL8547091

C=CC(=O)NCCC/C(=C\c1ccc(C)cc1C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ TGM2 P21980 4/20 0.39
▸ ZDHHC20 Q5W0Z9 1/20 0.38
▸ ZDHHC2 Q9UIJ5 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ EGFR P00533 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33

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
SCHEMBL8552120 0.77 RAB9A (0.35) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8547344 0.77 TGM2 (0.38) GAATGM2ZDHHC20ZDHHC2MEN1
SCHEMBL8547481 0.75 TGM2 (0.43) TGM2ZDHHC20ZDHHC2NPC1RAB9A
SCHEMBL8555523 0.74 TGM2 (0.42) GAATGM2NPC1RAB9ASMN1; SMN2
SCHEMBL1508505 0.73 MEN1 (0.45) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL1508506 0.73 MEN1 (0.45) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL8551267 0.73 ZDHHC20 (0.42) GAATGM2ZDHHC20ZDHHC2LMNA
SCHEMBL8144690 0.73 HTT (0.40) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL8555564 0.73 NFE2L2 (0.45) GAATGM2NPC1RAB9ASMN1; SMN2
SCHEMBL8549538 0.73 GRIK1 (0.46) TGM2ZDHHC20ZDHHC2MAPTMEN1

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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