SCHEMBL9315930

SCHEMBL9315930

CCOC(=O)CC(C[N+](=O)[O-])c1occ2cc(F)ccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
FBP1 P09467 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HK1 P19367 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
PRNP P04156 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 3/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 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
SCHEMBL9315762 0.89 MAPT (0.35) MAPTTSHRKDM4ELMNAALDH1A1
SCHEMBL9315810 0.88 TP53 (0.36) MAPTTSHRKDM4ELMNAFBP1
SCHEMBL9315898 0.88 LMNA (0.34) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9316711 0.88 MAPT (0.34) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9315021 0.87 KDM4E (0.38) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9315775 0.85 LMNA (0.36) MAPTKDM4ELMNAALDH1A1TDP1
SCHEMBL9315934 0.79 KDM4E (0.39) MAPTTSHRKDM4ELMNAFBP1
SCHEMBL20475329 0.76 MAPT (0.41) MAPTTSHRKDM4ELMNAFBP1
SCHEMBL1269176 0.76 MAPT (0.46) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL1269119 0.74 F10 (0.43) MAPTKDM4ELMNAALDH1A1MEN1

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