SCHEMBL8551388

SCHEMBL8551388

C=CC(=O)NCC/C(=C\c1cccc(F)c1C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 7/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CD274 Q9NZQ7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ZDHHC20 Q5W0Z9 1/20 0.32
▸ ZDHHC2 Q9UIJ5 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL8550897 0.85 SMN1; SMN2 (0.36) SMN1; SMN2MEN1PKMKMT2AL3MBTL1
SCHEMBL8551790 0.76 MAPT (0.39) TGM2MEN1KMT2A
SCHEMBL8150989 0.75 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TSHRPTGESALOX5
SCHEMBL8551807 0.75 TGM2 (0.43) TGM2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8547481 0.75 TGM2 (0.43) TGM2SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL8545460 0.74 ALDH1A1 (0.34) TGM2SMN1; SMN2KMT2AALDH1A1TSHR
SCHEMBL8158313 0.73 ALOX5 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL8549387 0.71 DPEP1 (0.42) MEN1KMT2AEGFR
SCHEMBL8553931 0.71 DPEP1 (0.42) TGM2EGFRALDH1A1TSHRMAPK1
SCHEMBL8157433 0.71 APEX1 (0.39) SMN1; SMN2ALDH1A1TSHRTDP1PTGES

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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