SCHEMBL9599593

SCHEMBL9599593

O=C(OCc1ccccc1)c1ncoc1CCNC(=O)[C@H](Cc1ccccc1)NCCC(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.38
MAPT P10636 5/20 0.37
POLB P06746 3/20 0.37
MAPK1 P28482 2/20 0.37
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
S1PR4 O95977 1/20 0.35

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
SCHEMBL7433554 0.83 CTSL (0.40) MAPTPOLBMAPK1CTSLCTSB
SCHEMBL7433267 0.83 CTSL (0.54) CTSLCTSBCTSSCTSK
SCHEMBL7351604 0.81 MMP8 (0.39) KMT2A
SCHEMBL7434571 0.79 ADAM17 (0.37) MAPTPOLBMAPK1S1PR4
SCHEMBL7434588 0.78 PPARG (0.36) MAPTPOLBMAPK1CTSLCTSB
SCHEMBL7432459 0.77 CHRNB2 (0.38) MAPTALDH1A1CTSLCTSBCTSS
SCHEMBL7434646 0.76 CTSC (0.37) MAPTPOLBALDH1A1CTSBCTSS
SCHEMBL7341910 0.75 MEN1 (0.42) MAPTPOLBMAPK1ALDH1A1KMT2A
SCHEMBL7444104 0.75 CTSK (0.46) CTSLCTSBCTSSCTSK
SCHEMBL7346509 0.72 MAPT (0.39) MAPTPOLBALDH1A1KMT2AMEN1

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
JP-5208964-A None JP disclosed
JP-H05208964-A DICARBOXYLIC ACID AND ITS PRODUCTION TANABE SEIYAKU CO LTD 1993-08-20 JP disclosed