SCHEMBL7310463

SCHEMBL7310463

CC(O)c1cc(OCCCCC(=O)NC2CNCCO2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.39
MAPT P10636 2/20 0.35
REN P00797 5/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 8/20 0.34
CNR1 P21554 6/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7316032 0.97 SIRT3 (0.41) SIRT3MAPTRENALDH1A1KDM4E
SCHEMBL7319186 0.84 HPGD (0.36) MAPTRENALDH1A1KDM4ENPC1
SCHEMBL7317910 0.83 MAPT (0.37) MAPTRENALDH1A1KDM4ENPC1
SCHEMBL7320164 0.82 HPGD (0.37) MAPTRENALDH1A1KDM4ENPC1
SCHEMBL7310467 0.78 ALDH1A1 (0.48) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL7316010 0.77 ALDH1A1 (0.36) MAPTRENALDH1A1KDM4ENPC1
SCHEMBL7315018 0.76 REN (0.33) REN
SCHEMBL7307610 0.75 SIRT3 (0.38) SIRT3MAPTALDH1A1KDM4ENPC1
SCHEMBL7316021 0.75 ALDH1A1 (0.49) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL7308539 0.73 SIRT3 (0.52) SIRT3MAPTALDH1A1KDM4ERAB9A

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