SCHEMBL17520693

SCHEMBL17520693

CCCCC1OC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)OC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)OC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)OC(=O)C(CC(C)C)N(C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 18/20 0.49
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
SOAT2 O75908 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL17520692 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2
SCHEMBL17520694 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2
SCHEMBL17520680 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2
SCHEMBL17520699 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2
SCHEMBL17520674 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2
SCHEMBL17520701 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2
SCHEMBL17520512 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2
SCHEMBL17520690 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2
SCHEMBL17520673 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2
SCHEMBL17520681 1.00 ABCB1 (0.49) ABCB1MMP1MMP3MMP9SOAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509967-B1 NOVEL 24-MEMBERED CYCLOOCTADEPSIPEPTIDES FROM FUNGAL STRAINS AND THEIR USE AS ANTHELMINTICS OR ENDOPARASITICIDES BAYER IP GMBH (DE) 2016-02-17 EP disclosed