SCHEMBL9315780

SCHEMBL9315780

CCOC(=O)CC(C[N+](=O)[O-])c1cc2cc(C(C)CC)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
THRB P10828 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.38
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2C19 P33261 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL9315029 0.92 KDM4E (0.40) LMNAALDH1A1KDM4ETHRBTP53
SCHEMBL9315765 0.86 TAS1R3 (0.41) LMNAALDH1A1KDM4ETHRBTP53
SCHEMBL9316716 0.85 ALDH1A1 (0.43) LMNAALDH1A1KDM4ETHRBTP53
SCHEMBL9315905 0.84 CA12 (0.42) LMNAALDH1A1KDM4ETHRBTP53
SCHEMBL9315814 0.84 TP53 (0.48) LMNAALDH1A1KDM4ETHRBTP53
SCHEMBL9315934 0.84 KDM4E (0.39) LMNAALDH1A1KDM4ETHRBTP53
SCHEMBL9315775 0.80 LMNA (0.36) LMNAALDH1A1KDM4EMAPTCYP2C19
SCHEMBL482069 0.73 MAPT (0.46) LMNAALDH1A1KDM4EMAPTCYP2C19
SCHEMBL9315021 0.71 KDM4E (0.38) LMNAALDH1A1KDM4EMAPTCYP2C19
SCHEMBL9195312 0.71 GAA (0.43) LMNAALDH1A1THRBCYP2C19

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