SCHEMBL9315775

SCHEMBL9315775

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 4/20 0.33
CYP2C19 P33261 1/20 0.33
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 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
SCHEMBL9315021 0.92 KDM4E (0.38) LMNAKDM4EMAPTALDH1A1CYP2C19
SCHEMBL9315762 0.87 MAPT (0.35) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL9315810 0.85 TP53 (0.36) LMNAKDM4EMAPTALDH1A1CYP2C19
SCHEMBL9315930 0.85 MAPT (0.34) LMNAKDM4EMAPTALDH1A1CYP2C19
SCHEMBL9316711 0.85 MAPT (0.34) LMNAKDM4EMAPTALDH1A1MEN1
SCHEMBL9315898 0.85 LMNA (0.34) LMNAKDM4EMAPTALDH1A1F2
SCHEMBL9315780 0.80 LMNA (0.39) LMNAKDM4EMAPTALDH1A1CYP2C19
SCHEMBL9195308 0.73 GAA (0.41) LMNAKDM4EALDH1A1CYP2C19MEN1
SCHEMBL9315029 0.71 KDM4E (0.40) LMNAKDM4EMAPTALDH1A1F2
SCHEMBL9201731 0.69 GABBR2 (0.35) LMNAMAPTALDH1A1CYP2C19MEN1

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