SCHEMBL7433554

SCHEMBL7433554

O=C(OCc1ccccc1)c1ncoc1CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
MME P08473 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
S1PR4 O95977 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP8 P22894 1/20 0.38
CTSK P43235 1/20 0.38
GRIA1 P42261 1/20 0.38

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
SCHEMBL7434571 0.91 ADAM17 (0.37) POLBMAPTS1PR4SMN1; SMN2MAPK1
SCHEMBL7434646 0.91 CTSC (0.37) CTSBCTSSPOLBMAPTSMN1; SMN2
SCHEMBL7428167 0.87 MMP8 (0.43) MMESMN1; SMN2MMP8
SCHEMBL7433267 0.85 CTSL (0.54) CTSLCTSBCTSSCTSK
SCHEMBL7341910 0.85 MEN1 (0.42) POLBMAPTS1PR4SMN1; SMN2MAPK1
SCHEMBL7439214 0.84 MME (0.52) MMEMMP8
SCHEMBL7344352 0.84 NMBR (0.57) MAPT
SCHEMBL9599593 0.83 TACR2 (0.38) CTSLCTSBCTSSPOLBMAPT
SCHEMBL7434588 0.83 PPARG (0.36) CTSLCTSBCTSSPOLBMAPT
SCHEMBL7351604 0.83 MMP8 (0.39) MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5208964-A None JP disclosed
US-5312826-A Dicarboxylic acids with hypotensive agents and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
JP-H05208964-A DICARBOXYLIC ACID AND ITS PRODUCTION TANABE SEIYAKU CO LTD 1993-08-20 JP disclosed
EP-0519738-A1 Dicarboxylic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-12-23 EP disclosed