SCHEMBL10554690

SCHEMBL10554690

CC(N)(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.45
PTPN1 P18031 2/20 0.45
PTPRC P08575 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 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
SCHEMBL26086091 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL27582847 0.90 RXRA (0.49) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL27600184 0.88 PARP10 (0.52) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL27467629 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1809268 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL7483779 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1455978 0.83 PIN1 (0.51) ALDH1A1KMT2ACYP2C19SMN1; SMN2MEN1
SCHEMBL5171496 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL1726778 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL8580399 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102242179-A Application of macrocyclic polyamine compound in aspect of improving catalytic property of lipase UNIV JILIN 2011-11-16 CN disclosed
CN-100355900-C Method for enzyme catalytic resolution of N substituted alpha amino acid UNIV JILIN (CN) 2007-12-19 CN disclosed
CN-1632129-A Method for enzyme catalytic resolution of N substituted alpha amino acid UNIV JILIN (CN) 2005-06-29 CN disclosed
US-4863935-A Mitomycin compounds having useful anti-tumor activity KYOWA HAKKO KOGYO K.K. (JP) 1989-09-05 US disclosed
EP-0272063-A1 Mitomycin derivatives KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1988-06-22 EP disclosed