SCHEMBL7959963

SCHEMBL7959963

O=C(OCCc1ccccc1)C(CCCCOS(=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
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TBXA2R P21731 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
AR P10275 1/20 0.36
PTPN1 P18031 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
GAA P10253 1/20 0.35
CYP19A1 P11511 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7976215 0.97 KMT2A (0.38) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL7066151 0.93 KMT2A (0.40) KMT2AMEN1RAB9ALMNAMAPT
SCHEMBL7970022 0.91 AR (0.41) L3MBTL1KMT2AMEN1TBXA2RRAB9A
SCHEMBL7976152 0.88 AR (0.41) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL7960164 0.87 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1LMNAMAPT
SCHEMBL7973313 0.87 L3MBTL1 (0.52) L3MBTL1KMT2AMEN1RAB9AMAPT
SCHEMBL7973245 0.86 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1LMNAMAPT
SCHEMBL7975832 0.86 L3MBTL1 (0.39) L3MBTL1KMT2AMEN1TBXA2RRAB9A
SCHEMBL7959940 0.85 ALDH1A1 (0.43) L3MBTL1KMT2AMEN1TBXA2RLMNA
SCHEMBL7973361 0.84 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1LMNAMAPT

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