SCHEMBL28811698

SCHEMBL28811698

CC(C)(C)OC(=O)N1CC(Nc2cc(C3CC3)ccn2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.44
NOS2 P35228 5/20 0.44
NOS3 P29474 3/20 0.44
DDB1 Q16531 2/20 0.44
CRBN Q96SW2 2/20 0.44
ALDH1A1 P00352 1/20 0.43
USP30 Q70CQ3 4/20 0.43
SYK P43405 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
PDE4B Q07343 2/20 0.42
WNT3A P56704 1/20 0.42

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
SCHEMBL17560281 0.84 NOS1 (0.43) NOS1NOS2NOS3ALDH1A1USP30
SCHEMBL28811197 0.84 USP30 (0.46) NOS1NOS2NOS3USP30SYK
SCHEMBL17560179 0.83 NOS1 (0.44) NOS1NOS2NOS3USP30SYK
SCHEMBL17591733 0.82 USP30 (0.57) USP30PDE4BWNT3A
SCHEMBL23090047 0.82 BUB1 (0.47) USP30PDE4BWNT3A
SCHEMBL29736513 0.82 BUB1 (0.47) USP30PDE4BWNT3A
SCHEMBL26126144 0.82 IRAK4 (0.48) NOS1NOS2NOS3
SCHEMBL18497654 0.81 NOS2 (0.54) NOS2USP30
SCHEMBL30585858 0.81 NOS2 (0.54) NOS2USP30
SCHEMBL18689602 0.77 PDE4B (0.46) USP30PDE4B

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
CN-115028619-A SMYD inhibitors EPIZYME股份有限公司 2022-09-09 CN disclosed
CN-107072205-B SMYD inhibitors EPIZYME股份有限公司 2022-07-15 CN disclosed