SCHEMBL28828546

SCHEMBL28828546

CCOc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.48
RXRB P28702 5/20 0.48
RXRG P48443 3/20 0.48
CCR2 P41597 1/20 0.38
RORC P51449 1/20 0.37
BACE1 P56817 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
ICMT O60725 1/20 0.35
KIFC1 Q9BW19 1/20 0.33
FFAR1 O14842 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL28828618 0.89 RXRA (0.45) RXRARXRBRXRGCCR2RORC
SCHEMBL28828477 0.85 RXRA (0.40) RXRARXRBRXRGRORCBACE1
SCHEMBL28828550 0.85 RXRA (0.47) RXRARXRBBACE1ICMTFFAR1
SCHEMBL29121247 0.85 PARP10 (0.39) RXRARXRBALDH1A1
SCHEMBL28828590 0.85 PARP10 (0.39) RXRARXRBALDH1A1
SCHEMBL28828457 0.84 KIF11 (0.44) BACE1
SCHEMBL28828662 0.84 KIF11 (0.43) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL28828379 0.83 RXRA (0.38) RXRARXRBRXRGCCR2MEN1
SCHEMBL28828413 0.83 RXRA (0.48) RXRARXRBRXRGALDH1A1
SCHEMBL28828445 0.83 RXRA (0.32) RXRARXRBRXRGFFAR4ICMT

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