SCHEMBL28828673

SCHEMBL28828673

CC(C)Oc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.40
RORC P51449 1/20 0.38
BTK Q06187 1/20 0.37
S1PR1 P21453 11/20 0.37
S1PR3 Q99500 6/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CSNK2A1 P68400 2/20 0.36
MAP4K4 O95819 2/20 0.35
MINK1 Q8N4C8 2/20 0.35
DYRK3 O43781 1/20 0.35
MARK3 P27448 1/20 0.35
PLK1 P53350 1/20 0.35
MAP4K5 Q9Y4K4 1/20 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
SCHEMBL27210440 1.00 KMO (0.40) KMORORCBTKS1PR1S1PR3
SCHEMBL29121238 0.92 MKNK1 (0.34) KMORORCBTK
SCHEMBL27200846 0.90 KMO (0.39) KMORORCBTKS1PR1S1PR3
SCHEMBL29121303 0.90 KMO (0.39) KMORORCBTKS1PR1S1PR3
SCHEMBL29121176 0.90 ALDH1A1 (0.35)
SCHEMBL29121356 0.88 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL28828534 0.88 PTGS2 (0.39) KMOMEN1LMNAKMT2A
SCHEMBL29121269 0.88 PTGS2 (0.39) KMOMEN1LMNAKMT2A
SCHEMBL28828615 0.88 NR3C1 (0.38) S1PR1S1PR3
SCHEMBL29121210 0.88 NR3C1 (0.38) S1PR1S1PR3

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