SCHEMBL28828533

SCHEMBL28828533

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
FFAR4 Q5NUL3 3/20 0.42
PTPN5 P54829 1/20 0.39
BACE1 P56817 2/20 0.38
SLC13A5 Q86YT5 1/20 0.37
CNR1 P21554 1/20 0.36
NR4A2 P43354 1/20 0.35
DHODH Q02127 1/20 0.35
GSK3B P49841 2/20 0.35
DRD1 P21728 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
CTSD P07339 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL28828749 0.93 FFAR4 (0.39) RXRARXRBFFAR4PTPN5
SCHEMBL28828554 0.89 F2 (0.41) FFAR4
SCHEMBL28828472 0.88 RXRA (0.46) RXRARXRBBACE1SLC13A5DHODH
SCHEMBL28828665 0.87 RXRA (0.34) RXRARXRB
SCHEMBL28828629 0.87 RXRA (0.41) RXRARXRBFFAR4PTPN5NR4A2
SCHEMBL28828656 0.86 RXRA (0.46) RXRARXRBFFAR4PTPN5BACE1
SCHEMBL28828465 0.85 KMO (0.38)
SCHEMBL28828709 0.85 F2R (0.40) ALDH1A1
SCHEMBL28828588 0.84 HSP90AA1 (0.36) RXRARXRBPTPN5
SCHEMBL28828407 0.84 RXRA (0.36) RXRAFFAR4

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