SCHEMBL8549387

SCHEMBL8549387

C=CC(=O)NCC/C(=C\c1ccc(F)c(Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPEP1 P16444 1/20 0.42
▸ PYGL P06737 10/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ GRIK1 P39086 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
SCHEMBL8545460 0.89 ALDH1A1 (0.34) DPEP1TRPA1KMT2AGRIK1
SCHEMBL9408933 0.89 PYGL (0.50) DPEP1PYGL
SCHEMBL8553931 0.86 DPEP1 (0.42) DPEP1EGFRERBB2
SCHEMBL8552779 0.84 DPEP1 (0.41) DPEP1TRPA1MEN1KMT2AGRIK1
SCHEMBL8552907 0.83 ALDH1A1 (0.47) KMT2AEGFR
SCHEMBL8551807 0.82 TGM2 (0.43) DPEP1MEN1KMT2A
SCHEMBL8551077 0.82 RAB9A (0.37) PYGLEGFRGRIK1
SCHEMBL8549459 0.82 PYGL (0.52) DPEP1PYGL
SCHEMBL8551790 0.81 MAPT (0.39) MEN1KMT2A
SCHEMBL8546512 0.80 VCAM1 (0.44) MEN1KMT2A

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
Send feedback