SCHEMBL7317632

SCHEMBL7317632

O=Cc1cc(OCCCC(=O)Cl)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
FFAR4 Q5NUL3 3/20 0.33
FFAR1 O14842 2/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.30
FBP1 P09467 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7307198 0.89 FFAR4 (0.40) MAPTALDH1A1FFAR4FFAR1
Hydrochloric Acid SCHEMBL7317635 0.88 FFAR4 (0.40) MAPTALDH1A1FFAR4FFAR1
SCHEMBL7307867 0.86 MAPT (0.34) MAPTALDH1A1LMNANPC1FBP1
SCHEMBL7317668 0.85 PDK2 (0.37) MAPTALDH1A1FFAR4FFAR1GRIN2D
SCHEMBL7307272 0.84 BRD4 (0.39) MAPTALDH1A1LMNANPC1FBP1
SCHEMBL7309678 0.83 THRB (0.34) MAPTALDH1A1LMNAFBP1SMN1; SMN2
SCHEMBL7305457 0.81 MCL1 (0.36) MAPTALDH1A1FFAR1NPC1
SCHEMBL7307818 0.81 GRIN2D (0.34) MAPTALDH1A1FFAR4FFAR1GRIN2D
SCHEMBL7318661 0.80 PTGDR2 (0.39) MAPTALDH1A1FFAR1
SCHEMBL7309626 0.78 SIRT5 (0.43) MAPTALDH1A1LMNA

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