SCHEMBL31553384

SCHEMBL31553384

CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NN)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.70
▸ ESR2 Q92731 1/20 0.60
▸ HDAC6 Q9UBN7 5/20 0.51
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC1 Q13547 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ MAP3K5 Q99683 1/20 0.42
▸ ABHD6 Q9BV23 1/20 0.42

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
SCHEMBL31553409 0.95 ESR2 (0.67) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL31553363 0.95 ESR2 (0.67) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL30090221 0.90 HDAC1 (0.55) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL24038851 0.90 HDAC1 (0.55) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL25110311 0.89 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL5077823 0.89 NR1H2 (0.61) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL9257641 0.88 NR1H2 (0.73) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL29589913 0.86 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL2277894 0.86 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL29373737 0.86 NR1H2 (0.70) NR1H2ESR2HDAC6HDAC8HDAC1

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-119816495-A 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and uses thereof 株式会社钟根堂 2025-04-11 — — CN disclosed
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