SCHEMBL7320207

SCHEMBL7320207

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TXNRD1 Q16881 4/20 0.33
GSR P00390 1/20 0.33
VCAM1 P19320 1/20 0.33
ESR1 P03372 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
TSPO P30536 1/20 0.32

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
SCHEMBL7315821 0.90 THRA (0.35) THRATHRBALDH1A1MAPTBCHE
SCHEMBL7320201 0.85 THRA (0.36) THRATHRBBCHEACHEFFAR1
SCHEMBL10375783 0.80 MAPT (0.41) THRATHRBALDH1A1MAPTMEN1
SCHEMBL7310206 0.78 MAPT (0.43) ALDH1A1MAPTFFAR1FFAR4KDM4E
SCHEMBL7319027 0.78 FFAR4 (0.46) FFAR1FFAR4HPGD
SCHEMBL7313197 0.78 THRA (0.36) THRATHRBALDH1A1MAPTBCHE
Hydrochloric Acid SCHEMBL7315798 0.77 FFAR4 (0.46) FFAR1FFAR4HPGD
SCHEMBL7311177 0.76 THRA (0.42) THRATHRBALDH1A1MAPTVCAM1
SCHEMBL7315792 0.76 FFAR4 (0.41) ALDH1A1MAPTFFAR1FFAR4VCAM1
SCHEMBL7308504 0.76 PDE3B (0.41) ALDH1A1FFAR1FFAR4KDM4EMEN1

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