SCHEMBL7728833

SCHEMBL7728833

CC(C)(C)OC(=O)N1C[C@H](N(C(=O)CN)C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
GHSR Q92847 5/20 0.45
HDAC8 Q9BY41 3/20 0.44
CFD P00746 1/20 0.44
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
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
POLB P06746 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
SCHEMBL7727252 0.91 KDM4E (0.46) SIRT2GHSRHDAC8POLB
SCHEMBL7726523 0.85 HDAC8 (0.41) HDAC8POLB
SCHEMBL7731479 0.85 HDAC8 (0.44) GHSRHDAC8POLB
SCHEMBL7731725 0.84 HDAC8 (0.44) HDAC8POLB
SCHEMBL7729236 0.81 HDAC4 (0.41) HDAC8POLB
SCHEMBL7728192 0.79 POLB (0.47) HDAC8F10POLB
SCHEMBL7725709 0.79 NPC1 (0.43) HDAC8POLB
SCHEMBL7722105 0.78 PTPN1 (0.40) HDAC8POLB
SCHEMBL7727754 0.78 POLB (0.44) GHSRHDAC8POLB
SCHEMBL7730976 0.77 MCL1 (0.44) GHSR

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