SCHEMBL13005254

SCHEMBL13005254

CCN(CC)c1ccc2c(c1)O/C(=C\c1ccc(O)c(C(=O)O)c1)N2CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PTPN1 P18031 3/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC16A3 O15427 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC16A1 P53985 1/20 0.36
RECQL P46063 1/20 0.36
HNF4A P41235 1/20 0.35
PTGS2 P35354 1/20 0.34
MAPT P10636 3/20 0.34

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
SCHEMBL12866244 0.83 MAOB (0.42) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL12880702 0.81 MAOB (0.39) MEN1KMT2ASMN1; SMN2MAOAMAOB
SCHEMBL12866302 0.77 EP300 (0.37) MEN1KMT2ASMN1; SMN2MAOAMAOB
SCHEMBL13016923 0.74 KDM4E (0.33) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL13005253 0.73 CA1 (0.40) MEN1KMT2AMAOBPTPN1PTPN2
SCHEMBL1520808 0.72 MEN1 (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12880708 0.71 MAOA (0.34) MEN1KMT2ASMN1; SMN2L3MBTL1MAOA
SCHEMBL12880700 0.65 CA1 (0.40) MAOBPTPN1PTPN2PTPN6HNF4A
SCHEMBL503775 0.64 MEN1 (0.75) MEN1KMT2ASMN1; SMN2L3MBTL1PTPN1
SCHEMBL9009797 0.64 MAPT (0.48) MEN1KMT2ASMN1; SMN2L3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed