SCHEMBL28828490

SCHEMBL28828490

COCCOc1ccccc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.40
AR P10275 2/20 0.39
KDM4E B2RXH2 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.35
SLC6A9 P48067 1/20 0.34
HDAC2 Q92769 1/20 0.34
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RX3 P56373 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
SCHEMBL28828688 0.91 EGFR (0.39) ARKDM4EL3MBTL1MAPK1P2RX3
SCHEMBL29228265 0.90 FFAR2 (0.39) FFAR2ARKDM4EL3MBTL1GAA
SCHEMBL28828705 0.89 PTPRC (0.44) ALDH1A1
SCHEMBL28828483 0.87 EDNRB (0.42) FFAR2CHEK1
SCHEMBL28828521 0.85 CHEK1 (0.46) CHEK1CHEK2
SCHEMBL28828573 0.85 CHEK1 (0.41) CHEK1CHEK2
SCHEMBL29228436 0.84 FFAR2 (0.39) FFAR2ARKDM4EL3MBTL1GAA
SCHEMBL28828448 0.83 KDM6B (0.38) FFAR2
SCHEMBL28828528 0.82 ADORA3 (0.38) KDM4EGAASMN1; SMN2ALDH1A1CHEK1
SCHEMBL28950165 0.82 CAMKK2 (0.40)

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