SCHEMBL28828614

SCHEMBL28828614

COCOc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.40
F2 P00734 1/20 0.38
CHEK2 O96017 2/20 0.36
CHEK1 O14757 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
EGFR P00533 1/20 0.35
LRRK2 Q5S007 1/20 0.34
ICMT O60725 2/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
F2R P25116 1/20 0.33
FFAR1 O14842 1/20 0.32
NR4A2 P43354 1/20 0.32
DHODH Q02127 1/20 0.32
HIF1A Q16665 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
SCHEMBL28828438 0.92 FYN (0.40) FYNF2CHEK2CHEK1EGFR
SCHEMBL28828521 0.91 CHEK1 (0.46) F2CHEK2CHEK1RXRARXRB
SCHEMBL29228332 0.90 FYN (0.39) FYNF2CHEK2CHEK1RXRA
SCHEMBL28828550 0.89 RXRA (0.47) RXRARXRBICMTF9F10
SCHEMBL28828539 0.88 F2 (0.42) F2CHEK2HIF1A
SCHEMBL28828679 0.88 SLC13A5 (0.40) CHEK2CHEK1RXRARXRBICMT
SCHEMBL28828532 0.87 HDAC1 (0.36) F2CHEK2CHEK1RXRARXRB
SCHEMBL28950180 0.87 NR1H4 (0.41) RXRARXRBFFAR1NR4A2DHODH
SCHEMBL28828592 0.87 NR4A2 (0.40) RXRARXRBICMTNR4A2DHODH
SCHEMBL27212728 0.85 DYRK3 (0.43) CHEK2CHEK1

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