SCHEMBL28828404

SCHEMBL28828404

CC(C)Cc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
MMP9 P14780 3/20 0.35
MMP2 P08253 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 1/20 0.35
ALOX5 P09917 2/20 0.34
CXCR1 P25024 3/20 0.33
CXCR2 P25025 3/20 0.33
PTPRF P10586 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRA P18433 1/20 0.32
ABL1 P00519 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL29121316 1.00 EPHX1 (0.36) EPHX1MMP9MMP2AKR1C2AKR1C1
SCHEMBL28828650 0.91 F10 (0.35) MMP9MMP2PTGS2
SCHEMBL29121331 0.89 EPHX1 (0.35) EPHX1MMP9MMP2AKR1C2AKR1C1
SCHEMBL28828536 0.87 EDNRB (0.36) PTGS2MEN1POLBMAPTKMT2A
SCHEMBL28828549 0.87 MMP9 (0.36) EPHX1MMP9MMP2AKR1C2AKR1C1
SCHEMBL28828409 0.85 MCL1 (0.39) RARB
SCHEMBL29121294 0.85 MCL1 (0.39) RARB
SCHEMBL28828455 0.85 WRN (0.34) PTGS2LMNA
SCHEMBL28950172 0.85 CTSA (0.39) ABL1LMNAMAPTTSHR
SCHEMBL28828382 0.83 DHODH (0.36) ABL1MAPT

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