SCHEMBL8547870

SCHEMBL8547870

C=C(C)C(=O)NCC/C(=C\c1cccc(C#N)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ FBP1 P09467 2/20 0.39
▸ NLRP3 Q96P20 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ RGS12 O14924 1/20 0.36

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
SCHEMBL8553056 0.89 DNM1 (0.35) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL8593809 0.86 FBP1 (0.40) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8552707 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL8551609 0.83 EGFR (0.39) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL8555352 0.83 NLRP3 (0.46) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8550868 0.83 AKR1C3 (0.43) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL8150918 0.80 PDCD1 (0.51) PDCD1CD274FBP1KDM4EHTT
SCHEMBL8554180 0.79 GLO1 (0.51) ALDH1A1MAPK1SMN1; SMN2LMNAMEN1
SCHEMBL8153247 0.79 PDCD1 (0.50) PDCD1CD274FBP1KDM4EHTT
SCHEMBL8547085 0.78 PDCD1 (0.43) PDCD1CD274KMT2AFBP1CNR1

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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