SCHEMBL28838706

SCHEMBL28838706

CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(C(=O)OCc3ccccc3)C3CCCC3)C2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NTSR1 P30989 1/20 0.42
YAP1 P46937 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
KLK7 P49862 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FKBP1A P62942 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL28838656 1.00 USP30 (0.48) USP30L3MBTL1MAPTMAPK1NPSR1
SCHEMBL23343010 1.00 USP30 (0.48) USP30L3MBTL1MAPTMAPK1NPSR1
SCHEMBL23342997 1.00 USP30 (0.48) USP30L3MBTL1MAPTMAPK1NPSR1
SCHEMBL23342998 1.00 USP30 (0.48) USP30L3MBTL1MAPTMAPK1NPSR1
SCHEMBL23298232 0.88 CYP2C19 (0.43) CYP3A4CYP2C9CYP2C19FKBP1A
SCHEMBL23298255 0.88 CYP2C19 (0.43) CYP3A4CYP2C9CYP2C19FKBP1A
SCHEMBL23298237 0.88 CYP2C19 (0.43) CYP3A4CYP2C9CYP2C19FKBP1A
SCHEMBL23298235 0.88 CYP2C19 (0.43) CYP3A4CYP2C9CYP2C19FKBP1A
SCHEMBL23298258 0.88 CYP2C19 (0.43) CYP3A4CYP2C9CYP2C19FKBP1A
SCHEMBL29543073 0.86 CCR5 (0.43) L3MBTL1MAPK1ALDH1A1CYP3A4CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715658-A Method for inhibiting RAS 锐新医药公司 2024-03-15 CN disclosed
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-115873020-A RAS inhibitors 锐新医药公司 2023-03-31 CN disclosed
CN-114901366-A RAS inhibitors 锐新医药公司 2022-08-12 CN disclosed