SCHEMBL22950784

SCHEMBL22950784

CC(C)(C)OC(=O)N1CC=CC1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.32
FAAH O00519 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PREP P48147 1/20 0.31
DUT P33316 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.30
RECQL P46063 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL24909113 0.88 ALDH1A1 (0.35) ATMALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17137102 0.88 ALDH1A1 (0.35) ATMALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17137099 0.88 ALDH1A1 (0.35) ATMALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4040230 0.80 NR1H2 (0.37) ATMALDH1A1MEN1KMT2APREP
SCHEMBL4040236 0.80 NR1H2 (0.37) ATMALDH1A1MEN1KMT2APREP
SCHEMBL4049132 0.79 PREP (0.35) ATMALDH1A1PREPGPR119LMNA
SCHEMBL4049137 0.79 PREP (0.35) ATMALDH1A1PREPGPR119LMNA
SCHEMBL22950789 0.79 GPR119 (0.38) ATMGPR119
SCHEMBL31567206 0.78 PREP (0.34) ATMALDH1A1MEN1KMT2APREP
SCHEMBL1639634 0.77 NR1H2 (0.42) ALDH1A1MEN1KMT2APREPLMNA

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
WO-2022161448-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-08-04 WO disclosed
EP-4003355-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-06-01 EP disclosed
CN-114173787-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 杨森科学爱尔兰无限公司 2022-03-11 CN disclosed
WO-2021018237-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-02-04 WO disclosed