SCHEMBL7320201

SCHEMBL7320201

CCCCCCN(C(=O)CCCOc1c(F)ccc([N+](=O)[O-])c1C=O)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
EPHX2 P34913 1/20 0.35
PDE6D O43924 4/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
VCAM1 P19320 1/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
SRD5A2 P31213 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
TXNRD1 Q16881 3/20 0.32
ESR1 P03372 1/20 0.31

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
SCHEMBL7320207 0.85 THRA (0.37) THRATHRBFFAR1FFAR4BCHE
SCHEMBL7315821 0.82 THRA (0.35) THRATHRBFFAR1FFAR4BCHE
SCHEMBL10375782 0.80 SIRT5 (0.40) THRATHRB
SCHEMBL7310206 0.78 MAPT (0.43) FFAR1FFAR4
SCHEMBL7319027 0.77 FFAR4 (0.46) FFAR1FFAR4HPGD
Hydrochloric Acid SCHEMBL7315798 0.76 FFAR4 (0.46) FFAR1FFAR4HPGD
SCHEMBL7315792 0.75 FFAR4 (0.41) FFAR1FFAR4VCAM1GAA
SCHEMBL7308504 0.75 PDE3B (0.41) FFAR1FFAR4HPGD
SCHEMBL7317826 0.73 THRA (0.35) THRATHRBPDE6DFFAR1FFAR4
SCHEMBL7312365 0.70 THRA (0.46) THRATHRBEPHX2BCHEACHE

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