SCHEMBL7305439

SCHEMBL7305439

CC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@H](O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LAP3 P28838 4/20 0.62
▸ ANPEP P15144 2/20 0.62
▸ RNPEP Q9H4A4 2/20 0.62
▸ DNPEP Q9ULA0 2/20 0.62
▸ MMP8 P22894 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ITGA4 P13612 1/20 0.48
▸ ITGB7 P26010 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ NMBR P28336 1/20 0.48

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
SCHEMBL16254383 0.81 LAP3 (0.63) LAP3ANPEPRNPEPDNPEPL3MBTL1
SCHEMBL17624753 0.81 MME (0.67) —
SCHEMBL18435373 0.80 LAP3 (0.61) LAP3ANPEPRNPEPDNPEPL3MBTL1
SCHEMBL19289912 0.80 LAP3 (0.61) LAP3ANPEPRNPEPDNPEPL3MBTL1
SCHEMBL7306277 0.80 ANPEP (0.64) ANPEPMMP8MEN1KMT2A
SCHEMBL7306287 0.80 ANPEP (0.64) ANPEPMMP8MEN1KMT2A
SCHEMBL7299696 0.80 CAPN1 (0.56) ANPEPDNPEPMMP8CTSLCTSB
SCHEMBL7304649 0.80 CAPN1 (0.56) ANPEPDNPEPMMP8CTSLCTSB
SCHEMBL7299705 0.80 CAPN1 (0.56) ANPEPDNPEPMMP8CTSLCTSB
SCHEMBL7304634 0.80 CAPN1 (0.56) ANPEPDNPEPMMP8CTSLCTSB

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-5214056-A Thiol protease inhibitors JAPAN TOBACCO INC. (JP) 1993-05-25 — — US claimed
US-5214056-A Thiol protease inhibitors JAPAN TOBACCO INC. (JP) 1993-05-25 — — US disclosed
EP-0460239-A1 1,3,2-DIOXATHIOLANE OXIDE DERIVATIVE Japan Tobacco Inc. (JP) 1991-12-11 — — EP disclosed
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