SCHEMBL28828576

SCHEMBL28828576

CCCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.39
PDE4D Q08499 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR4 Q5NUL3 4/20 0.34
S1PR1 P21453 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
FPR2 P25090 3/20 0.33
FFAR1 O14842 2/20 0.32
RORC P51449 1/20 0.32
PPARD Q03181 1/20 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
SCHEMBL29121340 1.00 BTK (0.39) BTKPDE4DMAPTHSD17B10FFAR4
SCHEMBL28828503 0.92 KDM1A (0.38) MAPTHSD17B10FFAR4FFAR1PPARD
SCHEMBL29121339 0.92 KDM1A (0.38) MAPTHSD17B10FFAR4FFAR1PPARD
SCHEMBL29228359 0.90 BTK (0.38) BTKPDE4DMAPTHSD17B10FFAR4
SCHEMBL29121266 0.89 BTK (0.37) BTKMAPTHSD17B10FFAR4FFAR1
SCHEMBL29121275 0.89 MAPT (0.36) MAPTHSD17B10S1PR1FPR2PPARD
SCHEMBL29121322 0.88 CSNK2A1 (0.39) BTKMAPTHSD17B10S1PR1HTR2C
SCHEMBL28828435 0.88 CSNK2A1 (0.39) BTKMAPTHSD17B10S1PR1HTR2C
SCHEMBL28950174 0.87 PDE4D (0.36) BTKPDE4DFFAR4HTR2CHTR2B
SCHEMBL28828384 0.87 HTR2C (0.38) MAPTHSD17B10FFAR4HTR2CHTR2B

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