SCHEMBL28828388

SCHEMBL28828388

Cc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.38
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
SLC9A1 P19634 1/20 0.37
MPL P40238 3/20 0.34
GRIN2B Q13224 5/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP11B2 P19099 3/20 0.31
CYP11B1 P15538 1/20 0.31
CHRNA7 P36544 1/20 0.31
F2R P25116 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL28828667 0.91 SLC6A3 (0.37) SLC9A1CHRNA7F2R
SCHEMBL28828604 0.91 CYP17A1 (0.33) PTGS1PTGS2CYP11B2CYP11B1F2R
SCHEMBL28828509 0.89 MCL1 (0.34) HSD17B1HSD17B2
SCHEMBL28828686 0.87 SIRT1 (0.36) SLC9A1CYP11B2CYP11B1
SCHEMBL28828601 0.87 TDP2 (0.39) SLC9A1PTGS1PTGS2
SCHEMBL28828426 0.87 KDM1A (0.39) CYP11B2CYP11B1F2R
SCHEMBL28828529 0.86 PDE4A (0.35) F2R
SCHEMBL28828556 0.86 F2R (0.35) F2R
SCHEMBL28828382 0.85 DHODH (0.36)
SCHEMBL28828606 0.85 CNR1 (0.36)

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