SCHEMBL14601575

SCHEMBL14601575

CCN(CC)c1ccc(C(=O)/C=C/C(=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
MAPT P10636 8/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
POLB P06746 4/20 0.56
MAPK1 P28482 2/20 0.56
USP2 O75604 1/20 0.56
RECQL P46063 1/20 0.56
TLR9 Q9NR96 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NOX1 Q9Y5S8 2/20 0.48
GAA P10253 2/20 0.48
MCL1 Q07820 1/20 0.48
NPSR1 Q6W5P4 3/20 0.45
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
ALDH3A1 P30838 1/20 0.43
ALDH1A3 P47895 1/20 0.43
HPGD P15428 4/20 0.43

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
SCHEMBL22160147 0.79 CA12 (0.60) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL28367782 0.79 CA12 (0.60) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2909650 0.78 MAPT (0.86) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2909651 0.78 MAPT (0.86) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL65794 0.76 MAPT (0.61) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL10941598 0.76 ALDH1A1 (0.73) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL10941603 0.76 ALDH1A1 (0.73) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6263248 0.76 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11522608 0.76 MAOB (0.73) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6231825 0.76 MAOB (0.73) ALDH1A1MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161022-B2 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-01-09 US disclosed
US-7161022-B2 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-01-09 US disclosed