SCHEMBL29136107

SCHEMBL29136107

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(O)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.57
▸ ANO1 Q5XXA6 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GFER P55789 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ FPR3 P25089 1/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ PIM1 P11309 2/20 0.44
▸ PIM2 Q9P1W9 2/20 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
SCHEMBL30089132 1.00 USP30 (0.57) USP30ANO1ALDH1A1PARP1NPC1
SCHEMBL15584615 0.89 USP30 (0.57) USP30ANO1ALDH1A1PARP1NPC1
SCHEMBL30941590 0.88 USP30 (0.56) USP30ANO1ALDH1A1PARP1NPC1
SCHEMBL29136112 0.88 USP30 (0.56) USP30ANO1ALDH1A1PARP1NPC1
SCHEMBL3003635 0.88 ANO1 (0.56) USP30ANO1ALDH1A1PARP1NPC1
SCHEMBL15644901 0.87 USP30 (0.62) USP30ALDH1A1PARP1NPC1MAPT
SCHEMBL20970042 0.87 USP30 (0.62) USP30ALDH1A1PARP1NPC1MAPT
SCHEMBL15644903 0.87 USP30 (0.62) USP30ALDH1A1PARP1NPC1MAPT
SCHEMBL18937875 0.86 ALDH1A1 (0.57) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL24781306 0.86 KMT2A (0.59) USP30ANO1MAPTRAB9AKMT2A

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
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