SCHEMBL7064585

SCHEMBL7064585

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.36
AR P10275 1/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 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 0.94 KMT2A (0.38) KMT2AMEN1SMN1; SMN2NPC1MAPT
SCHEMBL7975832 0.93 L3MBTL1 (0.39) KMT2AMEN1SMN1; SMN2NPC1MAPT
SCHEMBL7062455 0.86 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2CA1CA2
SCHEMBL7067318 0.86 AR (0.43) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL7065771 0.85 L3MBTL1 (0.47) KMT2AMEN1SMN1; SMN2RAB9ACA1
SCHEMBL7066151 0.85 KMT2A (0.40) KMT2AMEN1MAPTRAB9ACA1
SCHEMBL7066685 0.84 KMT2A (0.40) KMT2AMEN1CA1CA2MMP1
SCHEMBL7060919 0.83 THRB (0.37) KMT2AMEN1CA1CA2MMP1
SCHEMBL7062439 0.83 L3MBTL1 (0.40) KMT2AMEN1MAPTCA1CA2
SCHEMBL7064348 0.81 L3MBTL1 (0.43) KMT2AMEN1MAPTCA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
US-5880291-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed