SCHEMBL28828592

SCHEMBL28828592

CC(C)COc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
DHODH Q02127 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
KMT2A Q03164 1/20 0.37
FABP1 P07148 1/20 0.37
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
CTSA P10619 1/20 0.36
SLC16A3 O15427 3/20 0.36
SLC16A1 P53985 3/20 0.36
ABL1 P00519 1/20 0.36
ICMT O60725 1/20 0.36
SLC5A1 P13866 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MCTS1 Q9ULC4 1/20 0.34

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
SCHEMBL28950172 0.92 CTSA (0.39) CTSAABL1FFAR4NR1H4
SCHEMBL29121174 0.92 CTSA (0.39) CTSAABL1FFAR4NR1H4
SCHEMBL29121180 0.90 NR4A2 (0.43) NR4A2DHODHSIRT2HSD17B1HSD17B2
SCHEMBL28828550 0.89 RXRA (0.47) DHODHCTSAICMTRXRARXRB
SCHEMBL29121272 0.88 FFAR4 (0.36) NR4A2DHODHSIRT2PRMT5WDR77
SCHEMBL29121297 0.88 FFAR4 (0.47) NR4A2DHODHSIRT2CTSAABL1
SCHEMBL28828656 0.87 RXRA (0.46) NR4A2DHODHHSD17B1HSD17B2KMT2A
SCHEMBL28828679 0.87 SLC13A5 (0.40) KMT2AFABP1CTSAICMTRXRA
SCHEMBL28828614 0.87 FYN (0.40) NR4A2DHODHICMTRXRARXRB
SCHEMBL28828532 0.86 HDAC1 (0.36) NR4A2DHODHFFAR4RXRARXRB

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