SCHEMBL29136117

SCHEMBL29136117

CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cccc(O)c2)C1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 9/20 0.78
ANO1 Q5XXA6 2/20 0.62
HDAC4 P56524 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
PARP1 P09874 2/20 0.54
GABRA5 P31644 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL30089220 1.00 USP30 (0.78) USP30ANO1HDAC4HDAC6PARP1
SCHEMBL5145035 0.88 USP30 (0.82) USP30ANO1HDAC4HDAC6PARP1
SCHEMBL18124126 0.88 USP30 (1.00) USP30ANO1HDAC4HDAC6PARP1
SCHEMBL17927270 0.87 USP30 (0.74) USP30ANO1HDAC4HDAC6PARP1
SCHEMBL23713389 0.86 USP30 (0.72) USP30ANO1HDAC4HDAC6PARP1
SCHEMBL29842299 0.86 USP30 (0.72) USP30ANO1HDAC4HDAC6PARP1
SCHEMBL29842139 0.86 USP30 (0.72) USP30ANO1HDAC4HDAC6PARP1
SCHEMBL29136109 0.84 USP30 (0.70) USP30ANO1HDAC4HDAC6PARP1
SCHEMBL30088837 0.83 USP30 (0.69) USP30ANO1HDAC4HDAC6PARP1
SCHEMBL27177195 0.83 USP30 (0.56) USP30

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-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed