SCHEMBL28670704

SCHEMBL28670704

COC1(C#CCOC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP13 P45452 5/20 0.37
ADAM17 P78536 5/20 0.37
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
MMP2 P08253 2/20 0.35
MMP14 P50281 1/20 0.35
CTSK P43235 1/20 0.34
EPHX1 P07099 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL28675542 0.84 USP2 (0.42) USP2SMN1; SMN2MMP13ADAM17RECQL
SCHEMBL28653404 0.82 USP2 (0.45) USP2SMN1; SMN2MMP13ADAM17RECQL
SCHEMBL25799502 0.80 USP2 (0.41) USP2SMN1; SMN2MMP13ADAM17RECQL
SCHEMBL26666950 0.77 USP2 (0.46) USP2SMN1; SMN2RECQLHPGDEPHX2
SCHEMBL16049629 0.74 MMP13 (0.44) USP2SMN1; SMN2MMP13ADAM17RECQL
SCHEMBL28654152 0.73 GPR119 (0.45) GPR119
SCHEMBL16049580 0.73 USP2 (0.39) USP2SMN1; SMN2MMP13ADAM17RECQL
SCHEMBL25799541 0.73 GPR183 (0.36) USP2SMN1; SMN2HPGDEPHX2
SCHEMBL28665690 0.72 GRM5 (0.39) USP2SMN1; SMN2MMP13ADAM17HPGD
SCHEMBL22983591 0.72 USP2 (0.41) USP2SMN1; SMN2RECQLHPGDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620944-B Novel RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
CN-113620944-A Novel RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2021-11-09 CN disclosed