SCHEMBL15975440

SCHEMBL15975440

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C1C[C@H](OC(=O)N2Cc3cc4c(cc3C2)OCCO4)C[C@H]1C(=O)N[C@]1(CC)C[C@H]1C=C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL15975439 0.98 HDAC4 (0.31) HDAC4HDAC1
SCHEMBL15975444 0.96 HDAC4 (0.31) HDAC4HDAC1DPP8DPP9
SCHEMBL15975441 0.92
SCHEMBL15975442 0.90
SCHEMBL15976112 0.89 HDAC4 (0.30) HDAC4HDAC1
SCHEMBL15975438 0.89
SCHEMBL12401332 0.88 CYP3A4 (0.34) HDAC4HDAC1
SCHEMBL15976107 0.87
SCHEMBL15976111 0.86 HDAC4 (0.30) HDAC4HDAC1
SCHEMBL12401328 0.86 CYP3A4 (0.34) HDAC4HDAC1

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
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 US disclosed