SCHEMBL15045022

SCHEMBL15045022

COC[C@H]1CC[C@H](NC(C)(O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F10 P00742 4/20 0.37
▸ EHMT2 Q96KQ7 1/20 0.37
▸ PYGL P06737 9/20 0.36
▸ SMYD3 Q9H7B4 2/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34

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
SCHEMBL4275693 0.86 F10 (0.50) F10EHMT2PYGLSMYD3
SCHEMBL4094101 0.86 F10 (0.50) F10EHMT2PYGLSMYD3
SCHEMBL3340287 0.86 F10 (0.50) F10EHMT2PYGLSMYD3
SCHEMBL10476622 0.86 F10 (0.50) F10EHMT2PYGLSMYD3
SCHEMBL3340284 0.86 F10 (0.50) F10EHMT2PYGLSMYD3
SCHEMBL3342555 0.77 F10 (0.59) F10EHMT2PYGLSMYD3
SCHEMBL15016361 0.77 F10 (0.59) F10EHMT2PYGLSMYD3
SCHEMBL4087798 0.77 F10 (0.59) F10EHMT2PYGLSMYD3
SCHEMBL4269437 0.77 F10 (0.59) F10EHMT2PYGLSMYD3
SCHEMBL4093951 0.77 F10 (0.59) F10EHMT2PYGLSMYD3

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
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 — — EP disclosed
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