SCHEMBL28828680

SCHEMBL28828680

CCOc1ccc(Cl)cc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42
AGPAT2 O15120 10/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2A P28223 1/20 0.36
SLC6A9 P48067 1/20 0.35
ABL1 P00519 1/20 0.35
DHFR P00374 1/20 0.34

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
SCHEMBL28828374 0.89 CTSA (0.40) AGPAT2PTGDR2DHFR
SCHEMBL28828559 0.89 ABL1 (0.43) SLC9A1AGPAT2ABL1
SCHEMBL28828475 0.88 FFAR4 (0.44) ABL1
SCHEMBL28828705 0.88 PTPRC (0.44) SLC9A1HTR2CHTR2AABL1DHFR
SCHEMBL29121231 0.87 ERN1 (0.39) MEN1KMT2A
SCHEMBL28828443 0.87 ERN1 (0.39) MEN1KMT2A
SCHEMBL28828365 0.86 SLC9A1 (0.42) SLC9A1PTGDR2ABL1
SCHEMBL28828544 0.86 SLC9A1 (0.39) SLC9A1
SCHEMBL29121312 0.84 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL29121339 0.83 KDM1A (0.38) MEN1KMT2A

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