SCHEMBL10684499

SCHEMBL10684499

CN/C(=C/c1cccc2ccccc12)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ PGR P06401 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PLK1 P53350 1/20 0.45
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SLC16A1 P53985 1/20 0.41
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL10684505 1.00 HDAC8 (0.48) HDAC8HDAC6MTNR1AMTNR1BKDM4E
SCHEMBL29138776 0.85 MTNR1A (0.51) HDAC8HDAC6MTNR1AMTNR1BKDM4E
SCHEMBL29489353 0.83 MAPT (0.56) HDAC8HDAC6MTNR1AMTNR1BKDM4E
SCHEMBL15913822 0.83 MAPT (0.56) HDAC8HDAC6MTNR1AMTNR1BKDM4E
SCHEMBL3826539 0.81 KDM4E (0.55) HDAC8HDAC6MTNR1AMTNR1BKDM4E
SCHEMBL3252426 0.80 KDM4E (0.40) HDAC8HDAC6MTNR1AMTNR1BKDM4E
SCHEMBL3252422 0.80 KDM4E (0.40) HDAC8HDAC6MTNR1AMTNR1BKDM4E
SCHEMBL9401790 0.79 KDM4E (0.56) HDAC8HDAC6MTNR1AMTNR1BKDM4E
SCHEMBL9401795 0.79 KDM4E (0.56) HDAC8HDAC6MTNR1AMTNR1BKDM4E
SCHEMBL13938656 0.78 POLB (0.64) KDM4EALDH1A1MAPTMEN1KMT2A

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-4723031-A Processes for synthesizing substituted and unsubstituted aminoacetate esters CHEVRON RESEARCH COMPANY (US) 1988-02-02 — — US disclosed
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