SCHEMBL7976152

SCHEMBL7976152

O=C(OCc1ccccc1)C(CCCOS(=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
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MITF O75030 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
CYP19A1 P11511 1/20 0.37
PTPN1 P18031 2/20 0.37
POLB P06746 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 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
SCHEMBL7970022 0.97 AR (0.41) ARKMT2AMEN1HTTNPC1
SCHEMBL7067318 0.94 AR (0.43) ARKMT2AMEN1HTTNPC1
SCHEMBL7976215 0.91 KMT2A (0.38) ARKMT2AMEN1HTTNPC1
SCHEMBL7959963 0.88 L3MBTL1 (0.38) ARKMT2AMEN1HTTNPC1
SCHEMBL7975854 0.87 L3MBTL1 (0.47) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL7970036 0.86 KMT2A (0.38) ARKMT2AMEN1HTTNPC1
SCHEMBL7973546 0.86 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL7971087 0.85 L3MBTL1 (0.39) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7969761 0.84 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL7973313 0.84 L3MBTL1 (0.52) KMT2AMEN1RAB9AALDH1A1MAPT

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