SCHEMBL28828448

SCHEMBL28828448

CCc1ccccc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 6/20 0.38
KDM4C Q9H3R0 6/20 0.38
FFAR2 O15552 1/20 0.35
TRPA1 O75762 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC9A1 P19634 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HSD17B3 P37058 1/20 0.33
ABL1 P00519 1/20 0.33
PTGER1 P34995 3/20 0.32
PTGER4 P35408 3/20 0.32
PTGER3 P43115 3/20 0.32
PTGER2 P43116 3/20 0.32
ACACA Q13085 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL28828705 0.88 PTPRC (0.44) SLC9A1ABL1
SCHEMBL28828631 0.86 ACMSD (0.37) ABL1
SCHEMBL28828483 0.86 EDNRB (0.42) FFAR2HSD17B3ICMT
SCHEMBL28828661 0.86 SCN9A (0.37) FFAR2ABL1
SCHEMBL29121243 0.84 BCL2 (0.43)
SCHEMBL28828387 0.84 BCL2 (0.43)
SCHEMBL28828536 0.84 EDNRB (0.36) PPARA
SCHEMBL28950165 0.84 CAMKK2 (0.40) SLC9A1ALOX5APFEN1ABL1
SCHEMBL28828698 0.83 IKBKB (0.38) HSD17B3FFAR4
SCHEMBL29121267 0.83 SLC9A1 (0.33) SLC9A1

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