SCHEMBL8555352

SCHEMBL8555352

C=C(C)C(=O)NCC/C(=C\c1cccc(Cl)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.46
▸ PLAAT3 P53816 2/20 0.44
▸ PLAAT5 Q96KN8 2/20 0.44
▸ PLAAT2 Q9NWW9 2/20 0.44
▸ PLAAT4 Q9UL19 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 3/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL8554973 0.88 RAB9A (0.35) NLRP3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8552707 0.86 ALDH1A1 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8550868 0.86 AKR1C3 (0.43) NLRP3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8551925 0.85 GRIK1 (0.46) NLRP3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8554286 0.84 PYGL (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8552779 0.84 DPEP1 (0.41) NLRP3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8552907 0.83 ALDH1A1 (0.47) NLRP3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8547870 0.83 PDCD1 (0.43) NLRP3ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL8554588 0.82 TRPA1 (0.38) ALDH1A1HPGDKMT2ASMN1; SMN2NPC1
SCHEMBL8554180 0.82 GLO1 (0.51) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1

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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