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SCHEMBL17520705

SCHEMBL17520705

CC(C)CC1C(=O)OC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OC(C(C)C)C(=O)N(C)C(C(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 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 9/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.32
▸ PRKCG P05129 3/20 0.31
▸ PRKCB P05771 3/20 0.31
▸ PRKCH P24723 3/20 0.31
▸ PRKCE Q02156 3/20 0.31
▸ PRKCQ Q04759 3/20 0.31
▸ PRKCD Q05655 3/20 0.31
▸ PRKCA P17252 2/20 0.31

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
SCHEMBL621539 0.92 ABCB1 (0.39) ABCB1HDAC6
SCHEMBL30932702 0.92 ABCB1 (0.39) ABCB1HDAC6
SCHEMBL14134043 0.92 ABCB1 (0.39) ABCB1HDAC6
Enniatin B SCHEMBL380354 0.86 ABCB1 (0.36) ABCB1PRKCGPRKCBPRKCHPRKCE
Enniatin B SCHEMBL16242889 0.86 ABCB1 (0.36) ABCB1PRKCGPRKCBPRKCHPRKCE
Enniatin B SCHEMBL20335498 0.86 ABCB1 (0.36) ABCB1PRKCGPRKCBPRKCHPRKCE
SCHEMBL20335496 0.82 ABCB1 (0.36) ABCB1PRKCGPRKCBPRKCHPRKCE
Enniatin B1 SCHEMBL20335497 0.82 ABCB1 (0.36) ABCB1PRKCGPRKCBPRKCHPRKCE
SCHEMBL17520671 0.80 ABCB1 (0.33) ABCB1
SCHEMBL17520691 0.80 ABCB1 (0.37) ABCB1HDAC6

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