SCHEMBL8551790

SCHEMBL8551790

C=CC(=O)NCC/C(=C\c1cccc(F)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ TGM2 P21980 3/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL8552907 0.85 ALDH1A1 (0.47) AKR1C3MMP1MMP2MMP9FBP1
SCHEMBL8551807 0.84 TGM2 (0.43) MAPTMTNR1AMTNR1BTGM2MEN1
SCHEMBL8545460 0.84 ALDH1A1 (0.34) MAPTMTNR1AMTNR1BTGM2KMT2A
SCHEMBL8550868 0.83 AKR1C3 (0.43) MAPTAKR1C3AKR1C2FBP1EPHX2
SCHEMBL8549387 0.81 DPEP1 (0.42) MEN1KMT2A
SCHEMBL8553931 0.81 DPEP1 (0.42) TGM2
SCHEMBL9408933 0.79 PYGL (0.50) —
SCHEMBL9408949 0.78 ZDHHC20 (0.42) TGM2
SCHEMBL1655139 0.77 RECQL (0.50) MAPTAKR1C3AKR1C2MMP1MMP2
SCHEMBL31293405 0.77 RECQL (0.50) MAPTAKR1C3AKR1C2MMP1MMP2

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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