SCHEMBL28828532

SCHEMBL28828532

CC1(C)Cc2cc(-c3cccc(OCCF)c3)ccc2C1OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
F2 P00734 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
FFAR1 O14842 3/20 0.35
HRH3 Q9Y5N1 2/20 0.34
PPARD Q03181 2/20 0.34
PPARG P37231 1/20 0.34
BACE1 P56817 1/20 0.34
LRRK2 Q5S007 1/20 0.34
F2R P25116 1/20 0.34
NR4A2 P43354 2/20 0.33
DHODH Q02127 2/20 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
SCHEMBL28828468 0.92 PARP1 (0.36) FFAR4FFAR1HRH3PPARDPPARG
SCHEMBL28828679 0.91 SLC13A5 (0.40) CHEK1CHEK2RXRARXRBBACE1
SCHEMBL28950180 0.90 NR1H4 (0.41) RXRARXRBFFAR4FFAR1PPARD
SCHEMBL28828521 0.90 CHEK1 (0.46) CHEK1CHEK2F2RXRARXRB
SCHEMBL28828550 0.89 RXRA (0.47) RXRARXRBFFAR1BACE1DHODH
SCHEMBL27212728 0.88 DYRK3 (0.43) CHEK1CHEK2
SCHEMBL28828614 0.87 FYN (0.40) CHEK1CHEK2F2RXRARXRB
SCHEMBL28828592 0.86 NR4A2 (0.40) RXRARXRBFFAR4NR4A2DHODH
SCHEMBL28828539 0.85 F2 (0.42) HDAC2CHEK2F2BACE1
SCHEMBL28828591 0.84 F2R (0.42) CHEK2F2R

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