SCHEMBL5608441

SCHEMBL5608441

COC(=O)OC12CC3CC(O)(C1)CC(OC(=O)OC)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 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
SCHEMBL5607961 0.96 DPP4 (0.34) DPP4
SCHEMBL5608552 0.91 NPSR1 (0.33)
SCHEMBL5608375 0.84 PKM (0.39) DPP4
SCHEMBL5607527 0.81 EP300 (0.31) DPP4
SCHEMBL7630280 0.81 GRIN1 (0.37)
SCHEMBL5608184 0.81 NAAA (0.33)
SCHEMBL14593974 0.81
SCHEMBL24409187 0.80 DPP4 (0.32) DPP4
SCHEMBL5608031 0.79 NPSR1 (0.39)
SCHEMBL5608698 0.79 ALDH1A1 (0.38)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed