SCHEMBL28828528

SCHEMBL28828528

COc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ABCB1 P08183 1/20 0.38
RELA Q04206 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CTSA P10619 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SYK P43405 1/20 0.35
STIM1 Q13586 2/20 0.35
ORAI1 Q96D31 2/20 0.35

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
SCHEMBL28828483 0.92 EDNRB (0.42) EDNRBEDNRABACE1CHEK1ICMT
SCHEMBL29228205 0.90 ABCB1 (0.39) ADORA3ADORA2AADORA2BABCB1RELA
SCHEMBL28828482 0.88 CTSA (0.38) FFAR4CTSA
SCHEMBL28828362 0.88 BACE1 (0.40) CTSAEDNRBEDNRABACE1
SCHEMBL28828447 0.88 HSD17B3 (0.37) EDNRBEDNRAICMTPDCD1CD274
SCHEMBL28828572 0.87 ITGB1 (0.34) CTSAALDH1A1
SCHEMBL28828648 0.87 FFAR4 (0.37) ADORA3ADORA2AADORA2BABCB1RELA
SCHEMBL28828386 0.85 CTSA (0.38) RELACTSA
SCHEMBL28828676 0.84 CYP1A1 (0.45) ABCB1RELACTSABACE1SMN1; SMN2
SCHEMBL28828661 0.84 SCN9A (0.37)

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-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN claimed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN claimed
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN disclosed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN disclosed