SCHEMBL29153159

SCHEMBL29153159

C=C(C)C(=O)OCc1cc(OC)cc(-n2nc3ccc(F)cc3n2)c1O.O=C(O)C(O)=CCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL29823665 0.88 MAPT (0.32) L3MBTL1KDM4EALDH1A1
SCHEMBL825195 0.88 MAPT (0.32) L3MBTL1KDM4EALDH1A1
SCHEMBL29153160 0.84 PTGER4 (0.32) TDP1L3MBTL1
SCHEMBL1100484 0.82 NPC1 (0.38) TDP1L3MBTL1KDM4EALDH1A1HTT
SCHEMBL1101121 0.80 ALDH1A1 (0.36) L3MBTL1KDM4EALDH1A1HTT
SCHEMBL10020867 0.79 MAPT (0.33) TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL1100680 0.78 NPC1 (0.37) TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL20943568 0.78 MAPT (0.32) L3MBTL1KDM4EALDH1A1HTT
SCHEMBL13367072 0.78 TSHR (0.34) L3MBTL1KDM4EALDH1A1
SCHEMBL1100373 0.78 MAPT (0.34) KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117546077-A Contact lens and method for manufacturing the same 日油株式会社 2024-02-09 CN disclosed