SCHEMBL8552485

SCHEMBL8552485

C=CC(=O)NCC/C(=C\c1cc(C#N)cc(C#N)c1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GPR35 Q9HC97 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ DNM1 Q05193 3/20 0.32
▸ ZDHHC20 Q5W0Z9 1/20 0.31
▸ ZDHHC2 Q9UIJ5 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL8550291 0.87 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL8553056 0.82 DNM1 (0.35) ALDH1A1TSHRMAPK1TDP1GPR35
SCHEMBL8555909 0.81 EGFR (0.33) ALDH1A1TSHRMAPK1TDP1GAA
SCHEMBL8547085 0.81 PDCD1 (0.43) TGM2PDCD1CD274
SCHEMBL8551077 0.80 RAB9A (0.37) ALDH1A1TSHRMAPK1TDP1GAA
SCHEMBL8547481 0.75 TGM2 (0.43) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL8551807 0.75 TGM2 (0.43) ALDH1A1TSHRMAPK1TDP1GAA
SCHEMBL9408933 0.74 PYGL (0.50) ALDH1A1MAPK1
SCHEMBL8545460 0.74 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1TDP1GAA
SCHEMBL8552907 0.73 ALDH1A1 (0.47) ALDH1A1TGM2EGFR

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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