SCHEMBL30845146

SCHEMBL30845146

COC(=O)c1csc2c(OC)cc(N3CCC(OC(=O)NCC4CC4)CC3)nc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ UGT8 Q16880 13/20 0.64
▸ ACACB O00763 4/20 0.42
▸ ACACA Q13085 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NAPEPLD Q6IQ20 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
SCHEMBL21814080 1.00 UGT8 (0.64) UGT8ACACBACACAKDM4ENAPEPLD
SCHEMBL21813753 0.87 UGT8 (0.83) UGT8KDM4E
SCHEMBL21813377 0.86 UGT8 (0.49) UGT8KDM4E
SCHEMBL30844944 0.86 UGT8 (0.49) UGT8KDM4E
SCHEMBL21862463 0.80 UGT8 (0.78) UGT8ACACBACACA
SCHEMBL21813589 0.79 UGT8 (0.83) UGT8
SCHEMBL21862127 0.78 UGT8 (1.00) UGT8
Hydrochloric Acid SCHEMBL21814166 0.77 UGT8 (0.98) UGT8
SCHEMBL21813832 0.77 UGT8 (0.76) UGT8
Hydrochloric Acid SCHEMBL21814153 0.77 UGT8 (0.88) UGT8ACACBACACA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 — — CN claimed
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 — — CN disclosed
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