SCHEMBL9199093

SCHEMBL9199093

CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](O)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.57
ADAM17 P78536 3/20 0.52
MMP12 P39900 3/20 0.52
DGAT2 Q96PD7 1/20 0.48
YAP1 P46937 3/20 0.48
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
SLC6A5 Q9Y345 2/20 0.47
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP10 P09238 1/20 0.46
MMP8 P22894 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL9199101 1.00 USP30 (0.57) USP30ADAM17MMP12DGAT2YAP1
SCHEMBL9196648 1.00 USP30 (0.57) USP30ADAM17MMP12DGAT2YAP1
SCHEMBL9203806 0.88 CTSK (0.48) TAOK1TAOK3SLC6A5HDAC3HDAC1
SCHEMBL7611773 0.87 USP30 (0.62) USP30ADAM17MMP12DGAT2MMP3
SCHEMBL2190446 0.86 USP30 (0.67) USP30ADAM17MMP12DGAT2MMP3
SCHEMBL9273081 0.86 YAP1 (0.49) YAP1
SCHEMBL9199336 0.85 MRGPRX4 (0.49) TAOK1TAOK3SLC6A5HDAC3HDAC1
SCHEMBL9199330 0.85 MRGPRX4 (0.49) TAOK1TAOK3SLC6A5HDAC3HDAC1
SCHEMBL8194053 0.83 PRMT5 (0.49) USP30ADAM17MMP12YAP1TAOK1
SCHEMBL2534996 0.81 CTSK (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed