SCHEMBL28828645

SCHEMBL28828645

CC(C)(C)c1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
APP P05067 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
KIF11 P52732 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
BTK Q06187 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL28828403 0.89 AKR1C3 (0.34) AKR1C3AKR1C2
SCHEMBL29121202 0.88 APP (0.33) SLC6A2SLC6A4SLC6A3APPCYP3A4
SCHEMBL28828683 0.86 DHODH (0.38) AKR1C3AKR1C2KIF11
SCHEMBL28828510 0.86 PRKAB2 (0.39) SLC6A2SLC6A4SLC6A3APPCYP3A4
SCHEMBL29121219 0.86 PRKAB2 (0.39) SLC6A2SLC6A4SLC6A3APPCYP3A4
SCHEMBL28828612 0.85 APP (0.37) AKR1C3AKR1C2SLC6A2SLC6A4SLC6A3
SCHEMBL29121290 0.85 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3APPCYP3A4
SCHEMBL29121237 0.85 APP (0.37) AKR1C3AKR1C2SLC6A2SLC6A4SLC6A3
SCHEMBL28828639 0.85 CYP3A4 (0.41) SLC6A2SLC6A4SLC6A3APPCYP3A4
SCHEMBL28828633 0.85 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3APPCYP3A4

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