SCHEMBL7307818

SCHEMBL7307818

O=Cc1ccc(F)c(OCCCC(=O)Cl)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ERN1 O75460 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
SCHEMBL7310184 0.95 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7317297 0.89 FFAR4 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7307828 0.88 FFAR4 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7318877 0.86 PTPN7 (0.33) FFAR4ALDH1A1MAPT
SCHEMBL7307997 0.84 THRB (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7313402 0.84 TNF (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7310193 0.83 THRB (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7317613 0.83 PTPN7 (0.32) ALDH1A1MAPT
SCHEMBL7315792 0.81 FFAR4 (0.41) FFAR1FFAR4ALDH1A1MAPT
SCHEMBL7317632 0.81 MAPT (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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