SCHEMBL8551609

SCHEMBL8551609

C=C(C)C(=O)NCC/C(=C\c1ccc(C#N)c(C#N)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.39
▸ DNM1 Q05193 5/20 0.37
▸ ALDH1A1 P00352 9/20 0.36
▸ HPGD P15428 7/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ MAPK1 P28482 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALOX15 P16050 4/20 0.36
▸ ALOX12 P18054 4/20 0.36
▸ RECQL P46063 4/20 0.36
▸ BLM P54132 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ TP53 P04637 3/20 0.36
▸ NFKB1 P19838 3/20 0.36
▸ PMP22 Q01453 3/20 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
SCHEMBL8593809 0.85 FBP1 (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8555909 0.84 EGFR (0.33) EGFRDNM1ALDH1A1HPGDKDM4E
SCHEMBL8547870 0.83 PDCD1 (0.43) EGFRALDH1A1HPGDKDM4EMEN1
SCHEMBL8550020 0.83 GAA (0.48) EGFRALDH1A1HPGDKDM4EMAPK1
SCHEMBL8553056 0.82 DNM1 (0.35) EGFRDNM1ALDH1A1HPGDKDM4E
SCHEMBL8554588 0.80 TRPA1 (0.38) EGFRDNM1ALDH1A1HPGDKDM4E
SCHEMBL8554286 0.80 PYGL (0.42) ALDH1A1HPGDKDM4ESMN1; SMN2POLB
SCHEMBL8144746 0.80 DNM1 (0.37) DNM1ALDH1A1HPGDTDP1CYP1A2
SCHEMBL8551274 0.79 PLAAT3 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL8552707 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2CYP3A4RECQL

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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