SCHEMBL27200898

SCHEMBL27200898

COc1cc2c(cc1-c1ccc(CC(C)C)cc1)CCC(C)(C)C2OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 10/20 0.35
ITGB1 P05556 9/20 0.35
ITGB7 P26010 7/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
STS P08842 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
LDHA P00338 1/20 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
SCHEMBL28828644 0.90 EPHX1 (0.35) ITGA4ITGB1ITGB7MMP2MMP9
SCHEMBL29121324 0.88 FFAR4 (0.35) EPHX1
SCHEMBL29228177 0.88 MTNR1B (0.36) KDM4ESTSABCB1ABCC1
SCHEMBL29228166 0.88 FFAR4 (0.35) EPHX1
SCHEMBL29228407 0.86 ABCB1 (0.36) STSABCB1
SCHEMBL29121331 0.84 EPHX1 (0.35) MMP2MMP9EPHX1STS
SCHEMBL29228203 0.82 AR (0.41) STS
SCHEMBL23363108 0.81 ITGA4 (0.38) ITGA4ITGB1ITGB7MMP2MMP9
SCHEMBL29121217 0.81 CYP2C19 (0.36) ITGA4ITGB1EPHX1KDM4E
SCHEMBL27200901 0.81 ITGA4 (0.38) ITGA4ITGB1ITGB7MMP2MMP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746422-B Derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 CN claimed
CN-114746422-A Novel derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2022-07-12 CN claimed
EP-4041734-B1 DERIVATIVES HAVING 1,2,3,4-TETRAHYDRONAPHTHALENE MOIETY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-04-24 EP disclosed
CN-114746422-B Derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 CN disclosed
CN-114746422-A Novel derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2022-07-12 CN disclosed