SCHEMBL28822019

SCHEMBL28822019

CC(C)C(C(=O)OC(C)(C)C)N(C)C(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 2/20 0.34
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL23324448 1.00 USP30 (0.39) USP30TSHRALOX15USP2SMN1; SMN2
SCHEMBL23295392 0.90 USP30 (0.35) USP30TSHRALOX15
SCHEMBL23295390 0.90 USP30 (0.35) USP30TSHRALOX15
SCHEMBL22156359 0.88 USP30 (0.36) USP30TSHRALOX15USP2SMN1; SMN2
SCHEMBL22152249 0.88 USP30 (0.36) USP30TSHRALOX15USP2SMN1; SMN2
SCHEMBL23295326 0.82 NRAS (0.33) USP30
SCHEMBL23295328 0.82 NRAS (0.33) USP30
SCHEMBL23295647 0.81 ABCB1 (0.32)
SCHEMBL23295645 0.81 ABCB1 (0.32)
SCHEMBL22128317 0.80 USP30 (0.32) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209438-A Treatment of malignant diseases with SHP2 mutations using SOS1 inhibitors 锐新医药公司 2023-06-02 CN disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-115894606-A RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-114786777-A RAS inhibitors 锐新医药公司 2022-07-22 CN disclosed