SCHEMBL7970022

SCHEMBL7970022

O=C(OCc1ccccc1)C(CCCCOS(=O)(=O)c1ccccc1[N+](=O)[O-])OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.37
PTPN1 P18031 2/20 0.36
CYP19A1 P11511 1/20 0.36
POLB P06746 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL7976152 0.97 AR (0.41) ARKMT2AMEN1HTTNPC1
SCHEMBL7067318 0.93 AR (0.43) ARKMT2AMEN1HTTNPC1
SCHEMBL7959963 0.91 L3MBTL1 (0.38) ARL3MBTL1KMT2AMEN1HTT
SCHEMBL7976215 0.88 KMT2A (0.38) ARKMT2AMEN1HTTNPC1
SCHEMBL7973313 0.88 L3MBTL1 (0.52) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL7975832 0.87 L3MBTL1 (0.39) ARL3MBTL1KMT2AMEN1HTT
SCHEMBL7959940 0.86 ALDH1A1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7960164 0.86 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7973245 0.85 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1HTTALDH1A1
SCHEMBL7969864 0.84 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1ALDH1A1LMNA

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-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed