SCHEMBL29504656

SCHEMBL29504656

CC(C)(C)OC(=O)N1CCCCC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
PRMT5 O14744 1/20 0.42
PDE8B O95263 1/20 0.41
OPRD1 P41143 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HCRTR2 O43614 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 2/20 0.39
DAGLA Q9Y4D2 2/20 0.39
ABHD6 Q9BV23 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
KLK7 P49862 1/20 0.39
CHEK2 O96017 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL31122955 0.88 PARP1 (0.41) KDM1APRMT5OPRD1HCRTR2MEN1
SCHEMBL31122919 0.88 USP30 (0.40) KDM1APRMT5PDE8BOPRD1HCRTR2
SCHEMBL31122974 0.88 USP30 (0.40) KDM1APRMT5PDE8BOPRD1HCRTR2
SCHEMBL31048209 0.87 GPR119 (0.38) KDM1AOPRD1ALOX5APFEN1HCRTR2
SCHEMBL31048364 0.86 PARP1 (0.38) KDM1AHCRTR2MEN1KMT2ATSHR
SCHEMBL31048363 0.86 PARP1 (0.37) KDM1AOPRD1ALOX5APFEN1HCRTR2
SCHEMBL31048405 0.86 PARP1 (0.39) KDM1AOPRD1HCRTR2MEN1KMT2A
SCHEMBL31122981 0.85 KDM1A (0.36) KDM1AOPRD1ALOX5APFEN1HCRTR2
SCHEMBL31122948 0.85 GPR119 (0.38) KDM1AOPRD1HCRTR2MEN1KMT2A
SCHEMBL25568115 0.85 GPR119 (0.38) KDM1AOPRD1HCRTR2MEN1KMT2A

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-112805280-B Heteroaryl compounds for the treatment of huntington's disease PTC医疗公司 2024-12-06 CN disclosed
CN-110785420-B Oxazepin derivatives as inhibitors of PI 3-kinase activity 葛兰素史克知识产权开发有限公司 2022-04-26 CN disclosed