SCHEMBL18673261

SCHEMBL18673261

C=CCCC[C@](C)(NC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
ACLY P53396 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL21204290 0.95 ACLY (0.44) ABCC4MAPTALDH1A1LMNAACLY
SCHEMBL13282208 0.85 ALDH1A1 (0.39) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL18028034 0.85 ALDH1A1 (0.39) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL19289866 0.85 ALDH1A1 (0.39) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL13282112 0.85 ALDH1A1 (0.39) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL23019160 0.83 ALDH1A1 (0.38) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL21204268 0.83 ABCC4 (0.38) ABCC4MAPTALDH1A1LMNAACLY
SCHEMBL24501058 0.81 ALDH1A1 (0.37) ABCC4MAPTALDH1A1LMNATSHR
SCHEMBL19686451 0.80 ALDH1A1 (0.43) ABCC4MAPTALDH1A1LMNAACLY
SCHEMBL24548555 0.80 ALDH1A1 (0.36) ABCC4MAPTALDH1A1LMNATSHR

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-9605020-B2 Method for producing dipeptide derivative containing disubstituted amino acid residue NAGASE & CO., LTD. (JP) 2017-03-28 US disclosed