SCHEMBL28828690

SCHEMBL28828690

COc1cc(F)cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
PGR P06401 2/20 0.38
RORC P51449 2/20 0.36
F2 P00734 1/20 0.35
F2R P25116 1/20 0.35
FAAH O00519 1/20 0.34
KDM1A O60341 1/20 0.34
RXRA P19793 1/20 0.33
ABL1 P00519 2/20 0.32
ABCB1 P08183 2/20 0.32
BCR P11274 2/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 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
SCHEMBL28828744 0.92 RXRA (0.39) F2RXRAABL1ABCB1BCR
SCHEMBL28828556 0.91 F2R (0.35) BACE1PGRRORCF2RFAAH
SCHEMBL29121283 0.89 FFAR4 (0.43) CTSDBACE1RORCF2RFAAH
SCHEMBL28828424 0.88 FFAR4 (0.34) BACE1RORCF2RFAAHFFAR4
SCHEMBL29121281 0.87 FFAR4 (0.34) RORCF2RFAAHFFAR4
SCHEMBL28828538 0.87 SSTR2 (0.35) BACE1F2R
SCHEMBL28828539 0.87 F2 (0.42) BACE1PGRF2HIF1A
SCHEMBL28828618 0.87 RXRA (0.45) RORCF2KDM1ARXRAFFAR4
SCHEMBL28828363 0.87 CHRNB2 (0.39) ABL1ABCB1BCRHIF1A
SCHEMBL28828591 0.85 F2R (0.42) PGRF2R

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