SCHEMBL17520671

SCHEMBL17520671

CC(C)CC1C(=O)OC(C(C)C)C(=O)N(C)C(CCS(C)(=O)=O)C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N1C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 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
SCHEMBL17520698 0.88 ABCB1 (0.45) ABCB1
SCHEMBL17520708 0.88 ABCB1 (0.45) ABCB1
SCHEMBL17520709 0.88 ABCB1 (0.45) ABCB1
SCHEMBL17520675 0.88 ABCB1 (0.45) ABCB1
SCHEMBL14134043 0.86 ABCB1 (0.39) ABCB1
SCHEMBL30932702 0.86 ABCB1 (0.39) ABCB1
SCHEMBL621539 0.86 ABCB1 (0.39) ABCB1
SCHEMBL17520676 0.81 ABCB1 (0.46) ABCB1
SCHEMBL17520705 0.80 ABCB1 (0.35) ABCB1
SCHEMBL17520691 0.77 ABCB1 (0.37) ABCB1

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