SCHEMBL24845047

SCHEMBL24845047

N#C/C(=C\c1ccc(OCC(=O)O[C@H]2COC3C2OC[C@H]3OC(=O)COc2ccc(/C=C(\C#N)C(=O)Oc3ccccc3)cc2)cc1)C(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.43
▸ MAPT P10636 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 11/20 0.42
▸ HPGD P15428 4/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ TP53 P04637 1/20 0.39

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
SCHEMBL24844990 1.00 KDM4E (0.43) KDM4EMAPTGAARAB9ANPC1
SCHEMBL24845101 1.00 KDM4E (0.43) KDM4EMAPTGAARAB9ANPC1
SCHEMBL24845610 0.89 KDM4E (0.49) KDM4EMAPTGAARAB9ANPC1
SCHEMBL24845048 0.88 KDM4E (0.45) KDM4EMAPTGAARAB9ANPC1
SCHEMBL24845091 0.82 KDM4E (0.54) KDM4EMAPTGAARAB9ANPC1
SCHEMBL24484302 0.81 KDM4E (0.62) KDM4EMAPTGAARAB9ANPC1
SCHEMBL25793345 0.81 KDM4E (0.62) KDM4EMAPTGAARAB9ANPC1
SCHEMBL24845082 0.81 KDM4E (0.62) KDM4EMAPTGAARAB9ANPC1
SCHEMBL24559440 0.78 BCHE (0.43) KDM4EMAPTGAARAB9ANPC1
SCHEMBL25141853 0.78 KDM4E (0.58) KDM4EMAPTGAARAB9ANPC1

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
US-20230002679-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION FUJIFILM CORPORATION (JP) 2023-01-05 — — US disclosed
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