SCHEMBL7307305

SCHEMBL7307305

CCCCC(NCCCC(C)N(C)C(=O)COc1ccccc1)C(=O)CS(=O)(=O)Cc1ccco1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 7/20 0.35
POLB P06746 4/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 2/20 0.33
THRB P10828 1/20 0.33
PSMB5 P28074 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33

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
SCHEMBL7302476 0.85 MAPT (0.44) MAPTTSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL7313893 0.84 MAPT (0.36) MAPTTSHRSMN1; SMN2PKMALDH1A1
SCHEMBL7311207 0.81 ALDH1A1 (0.45) MAPTTSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL7307297 0.78 CASP3 (0.45) MAPTPKMALDH1A1POLBHPGD
SCHEMBL7307309 0.78 CASP3 (0.45) MAPTPKMALDH1A1POLBHPGD
SCHEMBL7301637 0.77 ALDH1A1 (0.44) MAPTTSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL7303790 0.76 ALDH1A1 (0.44) MAPTTSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL7307316 0.75 ALDH1A1 (0.41) MAPTTSHRSMN1; SMN2PKMALDH1A1
SCHEMBL7315651 0.74 MAPT (0.46) MAPTTSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL7444212 0.73 ALDH1A1 (0.42) MAPTTSHRSMN1; SMN2ALDH1A1POLB

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-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed
EP-0525420-A1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors Mitsubishi Chemical Corporation (JP) 1993-02-03 EP disclosed