SCHEMBL28822005

SCHEMBL28822005

CC(C)(C)OC(=O)N1CCC(C)(C(=O)OCC=O)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCD5 Q86SK9 1/20 0.36
HDAC2 Q92769 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ACACB O00763 2/20 0.35
USP30 Q70CQ3 1/20 0.34
RORC P51449 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
HDAC1 Q13547 1/20 0.34
NR1H2 P55055 1/20 0.33
PKM P14618 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
SCHEMBL28838677 0.92 HPGD (0.36) CYP11B2USP2SMN1; SMN2SCD5HDAC2
SCHEMBL27688832 0.92 USP2 (0.42) USP2SMN1; SMN2HDAC2DDB1CRBN
SCHEMBL22041915 0.89 USP2 (0.37) USP2SMN1; SMN2RORCDDB1CRBN
SCHEMBL29053800 0.88 CYP11B2 (0.36) CYP11B2USP2SMN1; SMN2SCD5HDAC2
SCHEMBL29211282 0.85 USP2 (0.40) CYP11B2USP2SMN1; SMN2SCD5HDAC2
SCHEMBL22702488 0.83 USP2 (0.45) CYP11B2USP2SMN1; SMN2SCD5HDAC2
SCHEMBL14377883 0.81 HPGD (0.36) CYP11B2USP2SMN1; SMN2SCD5HDAC2
SCHEMBL29168763 0.81 HDAC2 (0.36) CYP11B2USP2SMN1; SMN2SCD5HDAC2
SCHEMBL25209207 0.80 USP2 (0.42) CYP11B2USP2SMN1; SMN2SCD5HDAC2
SCHEMBL2673515 0.80 USP2 (0.42) CYP11B2USP2SMN1; SMN2SCD5HDAC2

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 9 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-117693509-A Macrocyclic compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
CN-117616031-A RAS inhibitors for the treatment of cancer 锐新医药公司 2024-02-27 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-115894606-A 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
CN-114786777-A RAS inhibitors 锐新医药公司 2022-07-22 CN disclosed