SCHEMBL8438729

SCHEMBL8438729

CC(C)(C)OC(=O)C[C@H](NC(=O)CNC(=O)COc1ccc(C(N)=S)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HDAC8 Q9BY41 1/20 0.43
HTRA1 Q92743 1/20 0.42
POLB P06746 1/20 0.42
PTPN1 P18031 2/20 0.41
PSMB1 P20618 2/20 0.40
PSMB8 P28062 2/20 0.40
PSMB9 P28065 2/20 0.40
PSMB5 P28074 2/20 0.40
REN P00797 1/20 0.40
PSMB10 P40306 1/20 0.40
PSMB2 P49721 1/20 0.40
KLK5 Q9Y337 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL8442775 0.87 MEN1 (0.49) MEN1ALDH1A1LMNAKMT2AMAPT
SCHEMBL7302254 0.83 TDP1 (0.46) MEN1ALDH1A1LMNAKMT2AMAPT
SCHEMBL8830341 0.83 MAPT (0.40) MAPTTDP1POLBPSMB1PSMB8
SCHEMBL8830323 0.82 MEN1 (0.47) MEN1ALDH1A1LMNAKMT2AMAPT
SCHEMBL7307254 0.82 MMP1 (0.49) MAPTTDP1POLBRENKLK5
SCHEMBL9223666 0.82 REN (0.49) MAPTTDP1RENKLK5
Iodide SCHEMBL8830319 0.82 MEN1 (0.47) MEN1ALDH1A1LMNAKMT2AMAPT
SCHEMBL7307169 0.82 CCKBR (0.44) MEN1KMT2AMAPTTDP1POLB
SCHEMBL9339365 0.77 MAPT (0.45) MEN1KMT2AMAPTTDP1POLB
SCHEMBL25336411 0.76 MAPT (0.52) MEN1ALDH1A1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384362-B1 Glycinderivatives HOFFMANN LA ROCHE (CH) 1999-12-15 EP disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 US disclosed
EP-0384362-A2 Glycinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 EP disclosed