SCHEMBL7435520

SCHEMBL7435520

O=C(O)c1ncoc1CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1cccs1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
ADAM17 P78536 6/20 0.41
TSHR P16473 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL7439214 0.90 MME (0.52) MMEKMT2A
SCHEMBL7434571 0.86 ADAM17 (0.37) ADAM17TSHR
SCHEMBL7431662 0.80 KMT2A (0.53) KMT2ACTSL
SCHEMBL7428167 0.80 MMP8 (0.43) MMETSHRKMT2AALOX15
SCHEMBL7434646 0.79 CTSC (0.37) ADAM17TSHRKMT2A
SCHEMBL7354156 0.77 KMT2A (0.55) TSHRKMT2AALOX15
SCHEMBL7433554 0.75 CTSL (0.40) MMECTSL
SCHEMBL9414191 0.74 MME (0.52) MMEKMT2A
SCHEMBL7444104 0.73 CTSK (0.46) CTSL
SCHEMBL7437445 0.73 PTGIR (0.38) MMEKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312826-A Dicarboxylic acids with hypotensive agents and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
EP-0519738-A1 Dicarboxylic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-12-23 EP disclosed