SCHEMBL11449337

SCHEMBL11449337

CC(=O)OCC1COC2(CC(C)(C)N(C)C(C)(C)C2)O1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL11467326 0.91 ALDH1A1 (0.33) ALDH1A1CA2
SCHEMBL11449420 0.87 CA2 (0.35) PDK1ALDH1A1CA2NLRP3
SCHEMBL11456613 0.87 PDK1 (0.32) PDK1ALDH1A1CA2
SCHEMBL11459125 0.87 PDK1 (0.32) PDK1ALDH1A1CA2
SCHEMBL11449616 0.85 PDK1 (0.32) PDK1ALDH1A1CA2
SCHEMBL11459365 0.85 ALDH1A1 (0.33) ALDH1A1CA2
SCHEMBL11449160 0.84 HTR7 (0.34)
SCHEMBL11459114 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4982351 0.84 PDK1 (0.31) PDK1
SCHEMBL11467350 0.84 CTDSP1 (0.33) PDK1ALDH1A1CA2

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-4212974-A POLYMER STABILIZERS SANKYO COMPANY LIMITED (JP) 1980-07-15 US disclosed
US-4125533-A STABILIZERS SANKYO CO. LTD. (JP) 1978-11-14 US disclosed
US-4016168-A STABILIZERS FOR POLYMERS SANKYO COMPANY LIMITED (JA) 1977-04-05 US disclosed