SCHEMBL28828688

SCHEMBL28828688

COCOc1ccccc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
SCN9A Q15858 2/20 0.33
ICMT O60725 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGR P06401 1/20 0.33
KDM4E B2RXH2 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
PTPRC P08575 1/20 0.33
MCL1 Q07820 1/20 0.32
P2RX3 P56373 1/20 0.32
AR P10275 1/20 0.32
FYN P06241 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32

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
SCHEMBL28828490 0.91 FFAR2 (0.40) L3MBTL1MAPK1KDM4EP2RX3AR
SCHEMBL29228256 0.90 EGFR (0.38) EGFRSCN9AICMTL3MBTL1LMNA
SCHEMBL28828705 0.90 PTPRC (0.44) TDP1PTPRC
SCHEMBL28828483 0.88 EDNRB (0.42) ICMTPGREDNRBEDNRAPTPRC
SCHEMBL28828614 0.84 FYN (0.40) EGFRICMTFYN
SCHEMBL28828438 0.84 FYN (0.40) EGFRFYN
SCHEMBL29228340 0.84 EGFR (0.38) EGFRSCN9AICMTPGRKDM4E
SCHEMBL28828448 0.84 KDM6B (0.38) ICMTPTGER1PTGER4PTGER3PTGER2
SCHEMBL28828528 0.83 ADORA3 (0.38) ICMTLMNAHTTKDM4EEDNRB
SCHEMBL28950165 0.83 CAMKK2 (0.40)

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