SCHEMBL31553363

SCHEMBL31553363

CC(C)(C)OC(=O)N1CCc2cc(C(=O)NN)ccc2C1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.67
▸ NR1H2 P55055 1/20 0.62
▸ HDAC6 Q9UBN7 8/20 0.56
▸ HDAC8 Q9BY41 3/20 0.56
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ TMPRSS2 O15393 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NAMPT P43490 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ABHD6 Q9BV23 1/20 0.43

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 1.00 ESR2 (0.67) ESR2NR1H2HDAC6HDAC8HDAC1
SCHEMBL31553384 0.95 NR1H2 (0.70) ESR2NR1H2HDAC6HDAC8HDAC1
SCHEMBL24038851 0.90 HDAC1 (0.55) ESR2NR1H2HDAC6HDAC8HDAC1
SCHEMBL30090221 0.90 HDAC1 (0.55) ESR2NR1H2HDAC6HDAC8HDAC1
SCHEMBL14063092 0.89 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8HDAC1
SCHEMBL1365222 0.89 ESR2 (0.62) ESR2NR1H2HDAC6HDAC8HDAC1
SCHEMBL6165588 0.88 ESR2 (0.65) ESR2NR1H2HDAC6HDAC8HDAC1
SCHEMBL14063061 0.88 ESR2 (0.70) ESR2NR1H2HDAC6HDAC8HDAC1
SCHEMBL30301758 0.86 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8HDAC1
SCHEMBL3024823 0.86 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8HDAC1

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
Send feedback