SCHEMBL8550291

SCHEMBL8550291

C=CC(=O)NCC/C(=C\c1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HDAC2 Q92769 2/20 0.38
▸ FBP1 P09467 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SNCA P37840 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 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
SCHEMBL8552485 0.87 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL8555909 0.84 EGFR (0.33) ALDH1A1KDM4EKMT2APKMMAPT
SCHEMBL8547481 0.83 TGM2 (0.43) ALDH1A1KMT2AHDAC2MAPTMEN1
SCHEMBL8551807 0.83 TGM2 (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL8593809 0.82 FBP1 (0.40) ALDH1A1KDM4EKMT2APKMATM
SCHEMBL8554406 0.80 ACACB (0.43) ALDH1A1KDM4EKMT2AMAPTRAB9A
SCHEMBL8549416 0.80 TGM2 (0.47) HDAC2LMNATGM2
SCHEMBL8546509 0.80 TGM2 (0.47) ALDH1A1KDM4EKMT2APKMHDAC2
SCHEMBL8547085 0.79 PDCD1 (0.43) KMT2AHDAC2FBP1TGM2
SCHEMBL8553499 0.79 TGM2 (0.48) ALDH1A1KDM4EKMT2APKMFBP1

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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