SCHEMBL28828534

SCHEMBL28828534

COc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
PTGS1 P23219 5/20 0.39
KMO O15229 2/20 0.37
MAPK1 P28482 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL29121269 1.00 PTGS2 (0.39) PTGS2PTGS1KMOMAPK1PDE4A
SCHEMBL28828522 0.91 DYRK1A (0.38) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL29228281 0.89 PTGS2 (0.38) PTGS2PTGS1KMOMAPK1PDE4A
SCHEMBL28828703 0.89 PGR (0.38)
SCHEMBL27210440 0.88 KMO (0.40) KMOMEN1LMNAKMT2A
SCHEMBL28828443 0.88 ERN1 (0.39) PTGS2PTGS1MAPK1MEN1LMNA
SCHEMBL29121231 0.88 ERN1 (0.39) PTGS2PTGS1MAPK1MEN1LMNA
SCHEMBL28828673 0.88 KMO (0.40) KMOMEN1LMNAKMT2A
SCHEMBL29121288 0.87 TDP2 (0.43) PTGS2PTGS1MAPK1LMNA
SCHEMBL28828678 0.86 PKM (0.34) PTGS2PTGS1KMOMAPK1MEN1

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