SCHEMBL7976215

SCHEMBL7976215

O=C(OCCc1ccccc1)C(CCCOS(=O)(=O)c1ccccc1[N+](=O)[O-])OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NTSR1 P30989 1/20 0.37
HTT P42858 1/20 0.37
AR P10275 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PTPN1 P18031 1/20 0.36
GAA P10253 1/20 0.36
CYP19A1 P11511 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 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
SCHEMBL7959963 0.97 L3MBTL1 (0.38) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL7066151 0.94 KMT2A (0.40) KMT2AMEN1RAB9ALMNAMAPT
SCHEMBL7976152 0.91 AR (0.41) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL7970022 0.88 AR (0.41) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL7971087 0.87 L3MBTL1 (0.39) KMT2AMEN1LMNAMAPTTHRB
SCHEMBL7975854 0.86 L3MBTL1 (0.47) KMT2AMEN1RAB9AMAPTTHRB
SCHEMBL7970036 0.85 KMT2A (0.38) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL7973546 0.85 ALDH1A1 (0.44) KMT2AMEN1LMNATHRBF2
SCHEMBL7973361 0.85 L3MBTL1 (0.42) KMT2AMEN1LMNAMAPTTHRB
SCHEMBL7067318 0.84 AR (0.43) KMT2AMEN1RAB9ANPC1LMNA

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