SCHEMBL26099504

SCHEMBL26099504

CN(C[C@H]1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)C1(C(C)(C)C)CCN(C(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.33
CHRM4 P08173 1/20 0.33
MCHR1 Q99705 1/20 0.32
P4HB P07237 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
F2 P00734 2/20 0.31
F11 P03951 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MCL1 Q07820 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
VHL P40337 1/20 0.30
ELOC Q15369 1/20 0.30
ELOB Q15370 1/20 0.30

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
SCHEMBL26101871 0.77 USP30 (0.47) USP30ALDH1A1MAPT
SCHEMBL26101877 0.77 USP30 (0.47) USP30ALDH1A1MAPT
SCHEMBL384271 0.72 LIPG (0.39) USP30P4HBF2F11PRSS1
SCHEMBL578443 0.72 LIPG (0.44) P4HBF2F11PRSS1PRSS2
SCHEMBL23539346 0.71 CYP2C19 (0.51) ALDH1A1HPGD
SCHEMBL601651 0.71 FFAR4 (0.47) P4HBITGB3ITGA2B
SCHEMBL2523673 0.71 NOTUM (0.36) USP30
SCHEMBL2546725 0.70 MCHR1 (0.41) MCHR1
SCHEMBL587201 0.70 MCHR1 (0.41) MCHR1
SCHEMBL587200 0.70 MCHR1 (0.41) MCHR1

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
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed