SCHEMBL30536040

SCHEMBL30536040

CC(C)(C)OC(=O)N1CC(OC(C)(C)C)C[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.41
▸ UCHL1 P09936 1/20 0.40
▸ NR1H2 P55055 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTRA1 Q92743 1/20 0.35
▸ MCL1 Q07820 3/20 0.35
▸ BTK Q06187 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL18577435 1.00 HSD17B10 (0.41) HSD17B10UCHL1NR1H2CHRM2CHRM1
SCHEMBL29015380 1.00 HSD17B10 (0.41) HSD17B10UCHL1NR1H2CHRM2CHRM1
SCHEMBL7298158 1.00 HSD17B10 (0.41) HSD17B10UCHL1NR1H2CHRM2CHRM1
SCHEMBL29015384 1.00 HSD17B10 (0.41) HSD17B10UCHL1NR1H2CHRM2CHRM1
SCHEMBL31573219 0.90 HSD17B10 (0.39) HSD17B10UCHL1NR1H2CHRM2CHRM1
SCHEMBL92869 0.88 UCHL1 (0.49) HSD17B10UCHL1NR1H2CHRM2CHRM1
SCHEMBL239963 0.88 UCHL1 (0.49) HSD17B10UCHL1NR1H2CHRM2CHRM1
SCHEMBL8269128 0.88 UCHL1 (0.49) HSD17B10UCHL1NR1H2CHRM2CHRM1
SCHEMBL1582803 0.88 UCHL1 (0.49) HSD17B10UCHL1NR1H2CHRM2CHRM1
SCHEMBL1270226 0.88 UCHL1 (0.49) HSD17B10UCHL1NR1H2CHRM2CHRM1

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-116239649-A Compound and composition for virus 3CL protease inhibitor and application thereof 浙江大学智能创新药物研究院 2023-06-09 — — CN disclosed
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