SCHEMBL28828501

SCHEMBL28828501

CC(C)c1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PTPN5 P54829 2/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
JAK2 O60674 2/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
NR4A2 P43354 1/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
FABP4 P15090 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MDM4 O15151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL29121307 1.00 RXRA (0.44) RXRARXRBRXRGPTPN5MMP2
SCHEMBL28828718 0.92 RXRA (0.35) RXRARXRBRXRGPTPN5BRD4
SCHEMBL29228175 0.89 RXRA (0.42) RXRARXRBRXRGPTPN5MMP2
SCHEMBL29121226 0.89 RXRA (0.42) RXRARXRBRXRGPTPN5MMP2
SCHEMBL28828698 0.87 IKBKB (0.38) HDAC2
SCHEMBL28828656 0.86 RXRA (0.46) RXRARXRBPTPN5NR4A2HTT
SCHEMBL28828629 0.85 RXRA (0.41) RXRARXRBRXRGPTPN5MMP2
SCHEMBL29121190 0.85 RXRA (0.34) RXRARXRBRXRGBRD4CREBBP
SCHEMBL28828591 0.85 F2R (0.42) CA1CA2F2R
SCHEMBL28828495 0.85 PGR (0.41) MMP2MMP9CA1CA2

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