SCHEMBL8551807

SCHEMBL8551807

C=CC(=O)NCC/C(=C\c1ccc(F)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 4/20 0.43
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DPEP1 P16444 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 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
SCHEMBL8547481 0.86 TGM2 (0.43) TGM2SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL8549416 0.85 TGM2 (0.47) TGM2SMN1; SMN2DPEP1LMNA
SCHEMBL8545460 0.85 ALDH1A1 (0.34) TGM2MTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL8551790 0.84 MAPT (0.39) TGM2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8550291 0.83 ALDH1A1 (0.39) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL8546509 0.83 TGM2 (0.47) TGM2MTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL8549387 0.82 DPEP1 (0.42) MEN1KMT2ADPEP1
SCHEMBL8553931 0.82 DPEP1 (0.42) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL8555056 0.82 THRB (0.43) TGM2SMN1; SMN2ALDH1A1GAA
SCHEMBL8553499 0.82 TGM2 (0.48) TGM2SMN1; SMN2ALDH1A1HTTMAPK1

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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