SCHEMBL7728829

SCHEMBL7728829

CC(C)(C)OC(=O)NCC(=O)NC1C[C@@H](C(=O)Nc2cccc(OCc3ccccc3)c2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.48
HDAC8 Q9BY41 4/20 0.44
POLB P06746 1/20 0.44
GHSR Q92847 5/20 0.43
F10 P00742 3/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
LTA4H P09960 1/20 0.42
CFD P00746 1/20 0.42

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
SCHEMBL7727250 0.91 LTA4H (0.45) SIRT2HDAC8POLBGHSRLTA4H
SCHEMBL7731475 0.85 HDAC8 (0.44) HDAC8POLBGHSR
SCHEMBL7726519 0.85 POLB (0.42) HDAC8POLB
SCHEMBL7731723 0.84 HDAC8 (0.44) HDAC8POLB
SCHEMBL7729234 0.81 HDAC4 (0.44) HDAC8POLB
SCHEMBL7722104 0.80 PABPC1 (0.45) HDAC8POLB
SCHEMBL7728407 0.80 MEN1 (0.39) SIRT2HDAC8POLB
SCHEMBL7728411 0.80 MEN1 (0.39) SIRT2HDAC8POLB
SCHEMBL7725703 0.79 POLB (0.43) HDAC8POLB
SCHEMBL7728188 0.79 POLB (0.47) HDAC8POLB

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-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed