SCHEMBL28828447

SCHEMBL28828447

COc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.37
FFAR2 O15552 6/20 0.37
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ICMT O60725 3/20 0.34
PFKFB3 Q16875 2/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
DHODH Q02127 1/20 0.34
PDK2 Q15119 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 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
SCHEMBL28828716 0.92 NOTUM (0.33) HSD17B3FFAR2
SCHEMBL28828483 0.91 EDNRB (0.42) HSD17B3FFAR2EDNRBEDNRAICMT
SCHEMBL28828528 0.88 ADORA3 (0.38) EDNRBEDNRAICMTPDCD1CD274
SCHEMBL28828362 0.88 BACE1 (0.40) FFAR2EDNRBEDNRADHODH
SCHEMBL28828526 0.86 RORC (0.37)
SCHEMBL28828572 0.86 ITGB1 (0.34)
SCHEMBL28828559 0.85 ABL1 (0.43) HSD17B3FFAR2
SCHEMBL28828661 0.85 SCN9A (0.37) FFAR2DHODHPDK2
SCHEMBL28828386 0.84 CTSA (0.38) DHODH
SCHEMBL28828522 0.84 DYRK1A (0.38) FFAR2

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