SCHEMBL28828629

SCHEMBL28828629

CCC1(CC)Cc2cc(-c3cccc(C(C)C)c3)ccc2C1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
PTPN5 P54829 2/20 0.35
JAK2 O60674 2/20 0.33
NR4A2 P43354 1/20 0.33
F2 P00734 1/20 0.32
F9 P00740 1/20 0.32
F10 P00742 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32
F7 P08709 1/20 0.32
PTGS2 P35354 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL28828665 0.94 RXRA (0.34) RXRARXRBRXRGMMP2MMP9
SCHEMBL28828588 0.92 HSP90AA1 (0.36) RXRARXRBRXRGMMP2MMP9
SCHEMBL28828533 0.87 RXRA (0.44) RXRARXRBPTPN5NR4A2KDM4E
SCHEMBL28828709 0.87 F2R (0.40) ALDH1A1LMNA
SCHEMBL28828723 0.86 BCL2 (0.42) F2F10PTGS2KMT2ALMNA
SCHEMBL28828501 0.85 RXRA (0.44) RXRARXRBRXRGMMP2MMP9
SCHEMBL29121307 0.85 RXRA (0.44) RXRARXRBRXRGMMP2MMP9
SCHEMBL28828554 0.85 F2 (0.41) MMP9F2PLAUPLATFFAR4
SCHEMBL28828487 0.84 RXRA (0.41) RXRARXRBF9
SCHEMBL28828439 0.83 PPARA (0.36) PTGS2SMN1; SMN2

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