SCHEMBL7307607

SCHEMBL7307607

CC(O)c1ccc(OCCCCCCC(=O)NN2CCNCC2C)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SIRT3 Q9NTG7 1/20 0.36
ALDH1A1 P00352 8/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
KDM4E B2RXH2 7/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR6 P50406 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 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
SCHEMBL7320743 0.86 MAOB (0.38) LMNAALDH1A1KDM4ERECQL
SCHEMBL7311419 0.86 ALDH1A1 (0.35) LMNAALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL7307610 0.84 SIRT3 (0.38) LMNASIRT3ALDH1A1ITGB3ITGA2B
SCHEMBL10377206 0.80 ALDH1A1 (0.38) LMNAALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL7307614 0.75 KDM4E (0.37) ALDH1A1ITGB3ITGA2BKDM4EMAPT
SCHEMBL7310463 0.72 SIRT3 (0.39) LMNASIRT3ALDH1A1KDM4EMAPT
SCHEMBL7310467 0.72 ALDH1A1 (0.48) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL7318303 0.71 KDM4E (0.47) LMNASIRT3ALDH1A1KDM4EMAPT
SCHEMBL7320749 0.71 MAOB (0.39) LMNAKDM4ECNR1CNR2
SCHEMBL7314553 0.70 KDM4E (0.48) LMNASIRT3ALDH1A1KDM4EMAPT

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