SCHEMBL7309722

SCHEMBL7309722

CC(O)c1cc(OCCCC(=O)NN2CCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 5/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL7314876 0.86 MAOB (0.44) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL7321019 0.84 MAPK1 (0.39) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL7318303 0.82 KDM4E (0.47) SIRT3MEN1KMT2AALDH1A1MAPK1
SCHEMBL7314553 0.81 KDM4E (0.48) SIRT3MEN1KMT2AALDH1A1MAPK1
SCHEMBL7316021 0.80 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL7309718 0.78 ALDH1A1 (0.38) SIRT3MEN1KMT2AALDH1A1MAPK1
SCHEMBL7310467 0.77 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL7311150 0.77 SIRT3 (0.47) SIRT3MEN1KMT2AALDH1A1MAPK1
SCHEMBL7308539 0.76 SIRT3 (0.52) SIRT3MEN1KMT2AALDH1A1MAPK1
SCHEMBL21029934 0.75 SIRT5 (0.46) MEN1KMT2AALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed