SCHEMBL9315898

SCHEMBL9315898

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
F2 P00734 4/20 0.33
F10 P00742 4/20 0.33
ALDH1A1 P00352 1/20 0.33
PRSS1 P07477 1/20 0.32
CCR3 P51677 1/20 0.31
AKR1B1 P15121 1/20 0.31
MAOB P27338 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 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) LMNAMAPTKDM4EALDH1A1MEN1
SCHEMBL9315810 0.88 TP53 (0.36) LMNAMAPTKDM4EALDH1A1MAOB
SCHEMBL9316711 0.88 MAPT (0.34) LMNAMAPTKDM4EALDH1A1MEN1
SCHEMBL9315930 0.88 MAPT (0.34) LMNAMAPTKDM4EALDH1A1MAOB
SCHEMBL9315021 0.87 KDM4E (0.38) LMNAMAPTKDM4EF2F10
SCHEMBL9315775 0.85 LMNA (0.36) LMNAMAPTKDM4EF2F10
SCHEMBL9315905 0.79 CA12 (0.42) LMNAMAPTKDM4EF2F10
SCHEMBL9201731 0.71 GABBR2 (0.35) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL29960595 0.71 ALDH1A1 (0.38) LMNAMAPTKDM4EALDH1A1MEN1
SCHEMBL9203501 0.71 GABBR2 (0.39) LMNAMEN1KMT2AGAA

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