SCHEMBL7315879

SCHEMBL7315879

CCCC(C1CCCC1)N(C)C(=O)CCCOc1cc([N+](=O)[O-])c(C(C)O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SRD5A2 P31213 1/20 0.30

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
SCHEMBL7308198 0.87 ALDH1A1 (0.34) ALDH1A1LMNAALOX12THRATHRB
SCHEMBL7315888 0.80 TDP1 (0.38) SIRT3THRATHRB
SCHEMBL10376742 0.75 SIRT5 (0.38) ALDH1A1KDM4E
SCHEMBL7314747 0.71 SIGMAR1 (0.38) SIRT3ALDH1A1LMNAKDM4E
SCHEMBL7319714 0.68 PDE3B (0.54)
SCHEMBL10375883 0.68 SIRT5 (0.37) ALDH1A1KDM4E
SCHEMBL7307676 0.67 PDE3B (0.55)
SCHEMBL7320170 0.67 KMT2A (0.37) SIRT3ALDH1A1LMNAKDM4E
SCHEMBL19548246 0.66 MAPT (0.43) SIRT3ALDH1A1LMNAKDM4E
SCHEMBL7310447 0.66 PDE3B (0.55) ALDH1A1KDM4E

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