SCHEMBL28828616

SCHEMBL28828616

COc1ccc(F)cc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.43
ABL1 P00519 1/20 0.43
FFAR4 Q5NUL3 2/20 0.41
SLC9A1 P19634 2/20 0.40
LRRK2 Q5S007 1/20 0.39
ERN1 O75460 1/20 0.38
CTSA P10619 3/20 0.37
KDM4C Q9H3R0 1/20 0.37
RELA Q04206 1/20 0.36
BACE1 P56817 2/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL28828386 0.93 CTSA (0.38) PIN1ABL1CTSAKDM4CRELA
SCHEMBL28828483 0.89 EDNRB (0.42) LRRK2BACE1
SCHEMBL28828475 0.89 FFAR4 (0.44) PIN1ABL1FFAR4
SCHEMBL28828594 0.89 ABL1 (0.45) PIN1ABL1FFAR4LRRK2CTSA
SCHEMBL28828608 0.88 CTSA (0.37) PIN1CTSABACE1
SCHEMBL28828524 0.88 TDP2 (0.46) SLC9A1CTSARELABACE1APP
SCHEMBL28828714 0.88 ABL1 (0.37) ABL1SLC9A1BACE1APP
SCHEMBL28828559 0.88 ABL1 (0.43) ABL1SLC9A1ERN1CTSA
SCHEMBL28828362 0.88 BACE1 (0.40) PIN1ERN1CTSABACE1APP
SCHEMBL28828719 0.87 ABL1 (0.39) ABL1

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