SCHEMBL7598406

SCHEMBL7598406

CCN(CCC(=O)OC)c1ccc(C=O)c(OC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
BACE1 P56817 4/20 0.41
MAPT P10636 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
TMPRSS15 P98073 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC16A3 O15427 2/20 0.36
SLC16A1 P53985 2/20 0.36
DHFR P00374 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
SCHEMBL9361815 0.86 ALDH1A1 (0.70) ALDH1A1L3MBTL1BACE1MAPTKDM4E
SCHEMBL8415573 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1BACE1MAPTKDM4E
SCHEMBL8415313 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1BACE1MAPTKDM4E
SCHEMBL7643085 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTKDM4EHPGD
SCHEMBL28338105 0.77 ALDH1A1 (0.65) ALDH1A1L3MBTL1BACE1MAPTKDM4E
SCHEMBL17236308 0.77 MAPT (0.47) ALDH1A1L3MBTL1MAPTKDM4EHPGD
SCHEMBL7595655 0.77 KMT2A (0.45) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10425633 0.76 ALDH1A1 (0.49) ALDH1A1L3MBTL1BACE1MAPTKDM4E
SCHEMBL13182636 0.75 ALDH1A1 (0.78) ALDH1A1L3MBTL1MAPTKDM4EHPGD
SCHEMBL22587845 0.73 ALDH1A1 (0.46) ALDH1A1L3MBTL1BACE1MAPTKDM4E

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-1002020-B1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES AMERSHAM PLC (GB) 2002-11-06 EP disclosed
US-6458966-B1 Dye intermediate and method NYCOMED AMERSHAM PLC (GB) 2002-10-01 US disclosed
EP-1002020-A1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES Nycomed Amersham plc (GB) 2000-05-24 EP disclosed
WO-1999007793-A1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES NYCOMED AMERSHAM PLC (GB) 1999-02-18 WO disclosed