SCHEMBL4600306

SCHEMBL4600306

COC(=O)N(C(CCCCNC(=O)OC(C)(C)C)C(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 2/20 0.44
TPSG1 Q9NRR2 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
MALT1 Q9UDY8 1/20 0.41
FOLH1 Q04609 1/20 0.40
ACE P12821 1/20 0.40
CACNA1G O43497 3/20 0.40
MAPT P10636 2/20 0.40
DRD2 P14416 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PAX8 Q06710 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
SCHEMBL2292771 1.00 TPSAB1 (0.44) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4599808 1.00 TPSAB1 (0.44) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4600478 0.99 TPSAB1 (0.43) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4600039 0.97 KMT2A (0.47) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL1637220 0.97 KMT2A (0.47) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4599868 0.97 KMT2A (0.47) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4612508 0.93 MALT1 (0.43) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL4717209 0.93 MALT1 (0.43) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL9933024 0.92 CXCR3 (0.45) ALDH1A1
SCHEMBL4599020 0.87 SYK (0.40) KMT2AMEN1GAAMALT1MAPT

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-3423469-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-01-09 EP disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed