SCHEMBL28828536

SCHEMBL28828536

CCc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
BCL2 P10415 1/20 0.34
IKBKB O14920 1/20 0.34
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
PTGS2 P35354 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
SLC6A7 Q99884 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
NQO2 P16083 1/20 0.30
WRN Q14191 1/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL28828387 0.91 BCL2 (0.43) BCL2PTGS2SMN1; SMN2HTTKMT2A
SCHEMBL29121243 0.91 BCL2 (0.43) BCL2PTGS2SMN1; SMN2HTTKMT2A
SCHEMBL28828409 0.91 MCL1 (0.39)
SCHEMBL29121294 0.91 MCL1 (0.39)
SCHEMBL29121203 0.89 MPL (0.41) MAPTALDH1A1MEN1KMT2A
SCHEMBL28828547 0.89 MPL (0.41) MAPTALDH1A1MEN1KMT2A
SCHEMBL28828455 0.88 WRN (0.34) PTGS2WRN
SCHEMBL29121233 0.88 PPARA (0.35) EDNRBEDNRAS1PR1S1PR5BCL2
SCHEMBL29121316 0.87 EPHX1 (0.36) PTGS2MAPTMEN1POLBKMT2A
SCHEMBL28828439 0.87 PPARA (0.36) EDNRBEDNRAS1PR1S1PR5BCL2

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