SCHEMBL31620941

SCHEMBL31620941

COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCN2C(=O)C(C#N)=Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ MAPT P10636 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ PLIN1 O60240 1/20 0.43
▸ ABHD5 Q8WTS1 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TUBB4A P04350 2/20 0.38
▸ TUBB P07437 2/20 0.38
▸ TUBA3C P0DPH7 2/20 0.38
▸ TUBA1B P68363 2/20 0.38

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
SCHEMBL31620889 0.88 HDAC1 (0.44) MEN1KMT2AMAPTGAAPLIN1
SCHEMBL31620910 0.81 ALDH1A1 (0.50) MEN1KMT2AMAPTGAAHDAC1
SCHEMBL31620895 0.78 ALDH1A1 (0.46) MEN1KMT2AMAPTGAAPLIN1
SCHEMBL22050064 0.74 HDAC1 (0.57) MEN1KMT2AMAPTHDAC1HDAC6
SCHEMBL31620924 0.73 TRPV1 (0.49) MEN1KMT2AMAPTGAAPLIN1
SCHEMBL31620905 0.73 HDAC1 (0.53) MEN1KMT2AMAPTHDAC1HDAC6
SCHEMBL31620940 0.72 P4HB (0.48) MEN1KMT2AMAPTHDAC1HDAC6
SCHEMBL31620896 0.70 GPR183 (0.53) MAPTGAAHDAC1HDAC6LMNA
SCHEMBL31620888 0.70 GPR183 (0.53) MAPTGAAHDAC1HDAC6LMNA
SCHEMBL31620904 0.69 ALDH1A1 (0.52) MEN1KMT2AMAPTGAAKDM4E

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-120136796-A Alpha, beta unsaturated ketone derivative and preparation method and application thereof 河南大学 2025-06-13 — — CN disclosed
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