SCHEMBL28838677

SCHEMBL28838677

CC(C)(C)OC(=O)N1CCCC(C)(C(=O)OCC=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PIK3R1 P27986 4/20 0.34
PIK3CA P42336 4/20 0.34
CYP11B2 P19099 1/20 0.34
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
ADAM17 P78536 1/20 0.33
HDAC2 Q92769 1/20 0.33
SCD5 Q86SK9 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL28822005 0.92 CYP11B2 (0.37) USP2SMN1; SMN2CYP11B2HDAC2SCD5
SCHEMBL14377883 0.89 HPGD (0.36) HPGDMKNK1USP2SMN1; SMN2MEN1
SCHEMBL22041915 0.87 USP2 (0.37) HPGDUSP2SMN1; SMN2ALDH1A1MAPT
SCHEMBL30453762 0.86 HPGD (0.39) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL30453434 0.86 HPGD (0.39) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL2891521 0.86 HPGD (0.39) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL16095519 0.85 HPGD (0.38) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL27688832 0.84 USP2 (0.42) HPGDUSP2SMN1; SMN2ALDH1A1MAPT
SCHEMBL3157569 0.81 HPGD (0.41) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL29053800 0.81 CYP11B2 (0.36) USP2SMN1; SMN2CYP11B2HDAC2SCD5

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-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