SCHEMBL31487688

SCHEMBL31487688

CC(C)(C)OC(=O)CCCn1ncnc1CO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.32
▸ STING1 Q86WV6 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL31487600 0.79 HDAC8 (0.33) HDAC8STING1KDM4EALDH1A1LMNA
SCHEMBL31487682 0.70 SLC7A5 (0.46) —
SCHEMBL13313912 0.70 LMNA (0.43) KDM4EALDH1A1LMNA
SCHEMBL31584986 0.69 KDM4E (0.39) HDAC8KDM4EALDH1A1
SCHEMBL6330210 0.68 MPO (0.34) ALDH1A1LMNA
SCHEMBL22121357 0.67 KDM4E (0.49) HDAC8STING1KDM4ELMNA
SCHEMBL1639757 0.66 TSHR (0.50) HDAC8STING1
SCHEMBL134923 0.66 EPHX2 (0.46) HDAC8STING1ALDH1A1LMNA
SCHEMBL25095623 0.66 KDM4E (0.34) HDAC8KDM4EALDH1A1
SCHEMBL21612942 0.66 ALDH1A1 (0.36) HDAC8KDM4EALDH1A1LMNA

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
WO-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 — — WO disclosed
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