SCHEMBL8551925

SCHEMBL8551925

C=C(C)C(=O)NCC/C(=C\c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.46
▸ NLRP3 Q96P20 3/20 0.43
▸ PLAAT3 P53816 2/20 0.41
▸ PLAAT5 Q96KN8 2/20 0.41
▸ PLAAT2 Q9NWW9 2/20 0.41
▸ PLAAT4 Q9UL19 2/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40

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 0.88 PLAAT3 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4CYP2C9
SCHEMBL8552707 0.88 ALDH1A1 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4CYP2C9
SCHEMBL8550399 0.87 ALDH1A1 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4CYP2C9
SCHEMBL8554973 0.87 RAB9A (0.35) GRIK1NLRP3PLAAT3PLAAT5PLAAT2
SCHEMBL8554286 0.86 PYGL (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8548352 0.86 SMN1; SMN2 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4CYP2C9
SCHEMBL8552779 0.86 DPEP1 (0.41) GRIK1NLRP3PLAAT3PLAAT5PLAAT2
SCHEMBL8555352 0.85 NLRP3 (0.46) NLRP3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8550978 0.85 MAPT (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8547353 0.84 PLAAT3 (0.43) 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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