SCHEMBL8551274

SCHEMBL8551274

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLAAT3 P53816 2/20 0.41
▸ PLAAT5 Q96KN8 2/20 0.41
▸ PLAAT2 Q9NWW9 2/20 0.41
▸ PLAAT4 Q9UL19 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AKR1C3 P42330 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL8552707 0.89 ALDH1A1 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8551925 0.88 GRIK1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8550399 0.88 ALDH1A1 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8548352 0.87 SMN1; SMN2 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8550978 0.86 MAPT (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8547353 0.85 PLAAT3 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL8593809 0.85 FBP1 (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8547323 0.84 MAPT (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8548995 0.84 ALOX5 (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8547481 0.82 TGM2 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2AKR1C3

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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