SCHEMBL7306277

SCHEMBL7306277

CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](O)C(=O)O)C(=O)NCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.64
▸ MMP3 P08254 3/20 0.59
▸ MMP9 P14780 1/20 0.57
▸ MMP8 P22894 5/20 0.54
▸ CA5A P35218 1/20 0.54
▸ PSMB1 P20618 1/20 0.52
▸ PSMB5 P28074 1/20 0.52
▸ PSMB2 P49721 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL7306287 1.00 ANPEP (0.64) ANPEPMMP3MMP9MMP8CA5A
SCHEMBL7305062 0.87 ANPEP (0.62) ANPEPMMP9MMP8CA5APSMB1
SCHEMBL14444053 0.81 MMP8 (0.66) ANPEPMMP3MMP8KMT2A
SCHEMBL10704435 0.81 ANPEP (0.61) ANPEPMMP3MMP9MMP8CA5A
SCHEMBL7305439 0.80 LAP3 (0.62) ANPEPMMP8MEN1KMT2A
SCHEMBL7299705 0.80 CAPN1 (0.56) ANPEPMMP9MMP8
SCHEMBL7304649 0.80 CAPN1 (0.56) ANPEPMMP9MMP8
SCHEMBL7299696 0.80 CAPN1 (0.56) ANPEPMMP9MMP8
SCHEMBL7304634 0.80 CAPN1 (0.56) ANPEPMMP9MMP8
SCHEMBL7296586 0.79 CAPN1 (0.58) MMP3MMP9

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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