SCHEMBL9316683

SCHEMBL9316683

CCOC(=O)CC(C[N+](=O)[O-])c1cc(Cl)c(Cl)s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
FBP1 P09467 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KAT2B Q92831 1/20 0.32
BRAF P15056 1/20 0.32
ALDH1A1 P00352 2/20 0.31
THRB P10828 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
CUL4A Q13619 1/20 0.31
MITF O75030 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2040302 0.78 MAPT (0.37) LMNAMAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL657923 0.74 MAPT (0.46) LMNAMAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL17925583 0.74 MAPT (0.36) LMNAMAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL563397 0.73 F10 (0.43) LMNAMAPTKDM4ERAB9AL3MBTL1
SCHEMBL20475329 0.72 MAPT (0.41) LMNAMAPTKDM4EFBP1ALDH1A1
SCHEMBL4755117 0.71 NPC1 (0.41) LMNAMAPTKDM4ERAB9AL3MBTL1
SCHEMBL16879221 0.71 MAPT (0.39) LMNAMAPTKDM4EFBP1L3MBTL1
SCHEMBL9294262 0.71 F2 (0.50) LMNAMAPTKDM4EALDH1A1F2
SCHEMBL15548874 0.71 MAPT (0.40) LMNAMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28088708 0.71 MAPT (0.39) LMNAMAPTKDM4EFBP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278166-A 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed
US-5214063-A 4-aminobutyric acid compounds, compositions and methods of use for treating disorders related to a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1993-05-25 US disclosed
US-5162364-A Treatment of spastic and senescence disorders ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed