SCHEMBL7320743

SCHEMBL7320743

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.38
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7311419 0.87 ALDH1A1 (0.35) ALDH1A1RECQLKDM4ELMNA
SCHEMBL7307607 0.86 LMNA (0.36) ALDH1A1RECQLKDM4ELMNA
SCHEMBL7320749 0.84 MAOB (0.39) MAOBTHRBKDM4EMAOALMNA
SCHEMBL10377206 0.82 ALDH1A1 (0.38) ALDH1A1KDM4ELMNA
SCHEMBL7320758 0.74 MAOB (0.39) MAOBALDH1A1KDM4EMAOA
SCHEMBL7311424 0.71 LMNA (0.37) ALDH1A1KDM4ELMNA
SCHEMBL7307610 0.71 SIRT3 (0.38) ALDH1A1KDM4ELMNA
SCHEMBL7309450 0.70 MAPT (0.52) ALDH1A1THRBKDM4ELMNA
SCHEMBL7317546 0.69 PDE3B (0.56)
SCHEMBL7318455 0.69 KDM4E (0.47) MAOBALDH1A1KDM4E

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