SCHEMBL7989939

SCHEMBL7989939

CC(C)(C)OC(=O)N1Cc2cc(O[Si](C)(C)C(C)(C)C)ccc2C[C@H]1C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 14/20 0.48
PTPN1 P18031 2/20 0.42
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL7992051 0.86 DPP4 (0.50) HDAC8PTPN1
SCHEMBL7992048 0.86 DPP4 (0.50) HDAC8PTPN1
SCHEMBL864907 0.84 ESR2 (0.48) HDAC8PTPN1
SCHEMBL864906 0.84 ESR2 (0.48) HDAC8PTPN1
SCHEMBL864979 0.84 HDAC8 (0.48) HDAC8PTPN1
SCHEMBL1724314 0.83 HDAC8 (0.47) HDAC8PTPN1
SCHEMBL7988510 0.82 UCHL1 (0.52) HDAC8
SCHEMBL7977798 0.80 HDAC8 (0.45) HDAC8PTPN1USP30
SCHEMBL2898621 0.74 HDAC8 (0.41) HDAC8PTPN1
SCHEMBL7977842 0.74 DPP4 (0.64) HDAC8PTPN1

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-6172081-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS; NON-INSULIN DEPENDENT DIABETES NOVARTIS AG (CH) 2001-01-09 US disclosed