SCHEMBL7439259

SCHEMBL7439259

CC(C)CC(C(=O)OCc1ccccc1)N(CCCO)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
CTSK P43235 3/20 0.40
CTSB P07858 1/20 0.40
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 1/20 0.38
BACE1 P56817 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
SCHEMBL15252430 0.84 MAPT (0.44) L3MBTL1CTSKCTSBMAPTXBP1
SCHEMBL15251663 0.84 MAPT (0.44) L3MBTL1CTSKCTSBMAPTXBP1
SCHEMBL15251664 0.84 MAPT (0.44) L3MBTL1CTSKCTSBMAPTXBP1
SCHEMBL15251844 0.84 L3MBTL1 (0.41) L3MBTL1CTSKCTSBMAPTXBP1
SCHEMBL27853183 0.84 L3MBTL1 (0.41) L3MBTL1CTSKCTSBMAPTXBP1
SCHEMBL27853178 0.82 CTSK (0.48) L3MBTL1CTSKCTSBMAPTXBP1
SCHEMBL13519510 0.82 CTSK (0.48) L3MBTL1CTSKCTSBMAPTXBP1
SCHEMBL31187921 0.80 MAPT (0.49) L3MBTL1MAPTNPSR1TDP1POLB
SCHEMBL5429319 0.79 L3MBTL1 (0.40) L3MBTL1CTSKCTSBSYK
SCHEMBL1554885 0.79 SYK (0.51) L3MBTL1CTSKCTSBMAPTSYK

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
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed