SCHEMBL22210773

SCHEMBL22210773

CCC(C)C(N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)CC)C(C)CC)C(C)CC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ENPEP Q07075 16/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL29577673 1.00 ALDH1A1 (0.54) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL30011128 1.00 ALDH1A1 (0.54) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL2933766 0.96 ALDH1A1 (0.58) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL31025662 0.96 ALDH1A1 (0.58) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL2933768 0.96 ALDH1A1 (0.58) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL7441174 0.96 ALDH1A1 (0.58) ALDH1A1ENPEPL3MBTL1CA2CA1
SCHEMBL31139337 0.95 ALDH1A1 (0.50) ALDH1A1ENPEPL3MBTL1
SCHEMBL31139305 0.95 ALDH1A1 (0.50) ALDH1A1ENPEPL3MBTL1
SCHEMBL30592760 0.95 ALDH1A1 (0.50) ALDH1A1ENPEPL3MBTL1
SCHEMBL4982161 0.93 ALDH1A1 (0.51) ALDH1A1ENPEPL3MBTL1CA2CA1

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-10711083-B2 Adhesive JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-07-14 US disclosed