SCHEMBL8552120

SCHEMBL8552120

C=C(C)C(=O)NCC/C(=C\c1ccc(C)cc1C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ PLAAT3 P53816 2/20 0.34
▸ PLAAT5 Q96KN8 2/20 0.34
▸ PLAAT2 Q9NWW9 2/20 0.34
▸ PLAAT4 Q9UL19 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ HTT P42858 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ NPY1R P25929 1/20 0.32

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
SCHEMBL8551274 0.82 PLAAT3 (0.41) RAB9ASMN1; SMN2NPC1PLAAT3PLAAT5
SCHEMBL8157089 0.78 APEX1 (0.36) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8548079 0.78 CA1 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4GAA
SCHEMBL8547091 0.77 GAA (0.39) RAB9ASMN1; SMN2NPC1KMT2AMAPT
SCHEMBL8554560 0.77 LY96 (0.48) RAB9ASMN1; SMN2NPC1PLAAT3PLAAT5
SCHEMBL8552707 0.77 ALDH1A1 (0.52) RAB9ASMN1; SMN2NPC1PLAAT3PLAAT5
SCHEMBL8550897 0.76 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2NPC1PLAAT3PLAAT5
SCHEMBL8144690 0.76 HTT (0.40) SMN1; SMN2KMT2AMEN1HTTALDH1A1
SCHEMBL8551386 0.75 MAPT (0.40) SMN1; SMN2KMT2AMAPTMEN1GAA
SCHEMBL1508505 0.74 MEN1 (0.45) RAB9ASMN1; SMN2NPC1KMT2AMAPT

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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