SCHEMBL29136109

SCHEMBL29136109

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

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.70
HDAC4 P56524 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
ANO1 Q5XXA6 1/20 0.55
PARP1 P09874 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GABRA5 P31644 1/20 0.45
PHGDH O43175 1/20 0.45
MCHR1 Q99705 1/20 0.45
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL30088837 0.86 USP30 (0.69) USP30HDAC4HDAC6ANO1PARP1
SCHEMBL17927270 0.85 USP30 (0.74) USP30HDAC4HDAC6ANO1PARP1
SCHEMBL30089220 0.84 USP30 (0.78) USP30HDAC4HDAC6ANO1PARP1
SCHEMBL29136117 0.84 USP30 (0.78) USP30HDAC4HDAC6ANO1PARP1
SCHEMBL23713389 0.83 USP30 (0.72) USP30HDAC4HDAC6ANO1PARP1
SCHEMBL5145035 0.83 USP30 (0.82) USP30HDAC4HDAC6ANO1PARP1
SCHEMBL18124126 0.82 USP30 (1.00) USP30HDAC4HDAC6ANO1PARP1
SCHEMBL4574282 0.82 USP30 (0.60) USP30HDAC4HDAC6ANO1ALDH1A1
SCHEMBL29842139 0.81 USP30 (0.72) USP30HDAC4HDAC6ANO1PARP1
SCHEMBL29842299 0.81 USP30 (0.72) USP30HDAC4HDAC6ANO1PARP1

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