SCHEMBL7975832

SCHEMBL7975832

O=C(Oc1ccccc1)C(CCCCOS(=O)(=O)c1ccccc1[N+](=O)[O-])OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
TBXA2R P21731 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL7970036 0.97 KMT2A (0.38) L3MBTL1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL7064585 0.93 KMT2A (0.40) L3MBTL1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL7959940 0.87 ALDH1A1 (0.43) L3MBTL1KMT2AMEN1SMN1; SMN2CA1
SCHEMBL7970022 0.87 AR (0.41) L3MBTL1KMT2AMEN1NPC1MAPT
SCHEMBL7973313 0.86 L3MBTL1 (0.52) L3MBTL1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7959963 0.86 L3MBTL1 (0.38) L3MBTL1KMT2AMEN1NPC1MAPT
SCHEMBL7969864 0.85 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1CA1CA2
SCHEMBL7960164 0.84 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1MAPTCA1
SCHEMBL7973546 0.84 ALDH1A1 (0.44) L3MBTL1KMT2AMEN1SMN1; SMN2CA1
SCHEMBL7973245 0.84 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1MAPTCA1

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