SCHEMBL28828600

SCHEMBL28828600

CC(C)Cc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
FFAR4 Q5NUL3 13/20 0.36
S1PR1 P21453 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SDCBP O00560 2/20 0.32
SDC2 P34741 2/20 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
SCHEMBL29121206 1.00 EPHX1 (0.36) EPHX1FFAR4S1PR1SLC6A2SLC6A4
SCHEMBL29121324 0.90 FFAR4 (0.35) EPHX1FFAR4S1PR1SLC6A2SLC6A4
SCHEMBL29228166 0.90 FFAR4 (0.35) EPHX1FFAR4S1PR1SLC6A2SLC6A4
SCHEMBL29121158 0.89 PLA2G10 (0.33) FFAR4
SCHEMBL28828659 0.89 PLA2G10 (0.33) FFAR4
SCHEMBL28828633 0.89 SLC6A2 (0.34) FFAR4S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL29121290 0.89 SLC6A2 (0.34) FFAR4S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL29121155 0.87 FFAR4 (0.36) FFAR4S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL29121237 0.87 APP (0.37) FFAR4SLC6A2SLC6A4SLC6A3
SCHEMBL28828612 0.87 APP (0.37) FFAR4SLC6A2SLC6A4SLC6A3

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