SCHEMBL17520698

SCHEMBL17520698

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(Cc2ccccc2)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 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.45
ELANE P08246 1/20 0.34
MMP2 P08253 3/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL17520675 1.00 ABCB1 (0.45) ABCB1ELANEMMP2HDAC6
SCHEMBL17520709 1.00 ABCB1 (0.45) ABCB1ELANEMMP2HDAC6
SCHEMBL17520696 1.00 ABCB1 (0.45) ABCB1ELANEMMP2HDAC6
SCHEMBL17520670 1.00 ABCB1 (0.45) ABCB1ELANEMMP2HDAC6
SCHEMBL17520708 1.00 ABCB1 (0.45) ABCB1ELANEMMP2HDAC6
SCHEMBL17520676 0.95 ABCB1 (0.46) ABCB1MMP2HDAC6
SCHEMBL17520687 0.89 ABCB1 (0.53) ABCB1HDAC6
SCHEMBL17520688 0.89 ABCB1 (0.53) ABCB1HDAC6
SCHEMBL17520706 0.89 ABCB1 (0.53) ABCB1HDAC6
SCHEMBL17520671 0.88 ABCB1 (0.33) 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