SCHEMBL8396195

SCHEMBL8396195

CC(=O)N[C@@H](CCCCNC(C)=S)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ FOLH1 Q04609 9/20 0.57
▸ ALB P02768 2/20 0.51
▸ SIRT5 Q9NXA8 3/20 0.49
▸ SIRT1 Q96EB6 2/20 0.48
▸ SIRT6 Q8N6T7 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ GNPAT O15228 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL13057107 0.92 FOLH1 (0.55) SMN1; SMN2FOLH1ALBSIRT5SIRT1
SCHEMBL1200060 0.88 FOLH1 (0.71) SMN1; SMN2FOLH1ALBSIRT5SIRT1
SCHEMBL16393150 0.88 FOLH1 (0.71) SMN1; SMN2FOLH1ALBSIRT5SIRT1
SCHEMBL2735591 0.88 FOLH1 (0.71) SMN1; SMN2FOLH1ALBSIRT5SIRT1
SCHEMBL23983058 0.85 FOLH1 (0.48) SMN1; SMN2FOLH1ALBSIRT5SIRT1
Bisorcic SCHEMBL2109664 0.82 FOLH1 (0.64) SMN1; SMN2FOLH1ALBSIRT5SIRT1
Bisorcic SCHEMBL2109666 0.82 FOLH1 (0.64) SMN1; SMN2FOLH1ALBSIRT5SIRT1
Bisorcic SCHEMBL16238411 0.82 FOLH1 (0.64) SMN1; SMN2FOLH1ALBSIRT5SIRT1
SCHEMBL14942518 0.82 FOLH1 (0.64) SMN1; SMN2FOLH1ALBSIRT5SIRT1
SCHEMBL2735587 0.82 FOLH1 (0.56) SMN1; SMN2FOLH1ALBSIRT5SIRT1

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-20080287653-A1 METHOD FOR PRODUCING INHIBITORS AND INHIBITORS FORMED THEREFROM THE UNIVERSITY OF AKRON (US) 2008-11-20 — — US disclosed
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