SCHEMBL7317613

SCHEMBL7317613

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
VCAM1 P19320 1/20 0.31
HPGD P15428 2/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 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
SCHEMBL7318877 0.96 PTPN7 (0.33) PTPN7PTPN12PTPN22MAPTALDH1A1
SCHEMBL7319123 0.90 HPGD (0.39) MAPTALDH1A1HPGDTHRBL3MBTL1
Hydrochloric Acid SCHEMBL7317619 0.89 HPGD (0.39) MAPTALDH1A1HPGDTHRBL3MBTL1
SCHEMBL7314929 0.86 FFAR4 (0.38) MAPTALDH1A1HPGDTHRBL3MBTL1
SCHEMBL7310184 0.86 GRIN2D (0.33) MAPTALDH1A1HPGDTHRBL3MBTL1
Hydrochloric Acid SCHEMBL7318884 0.85 FFAR4 (0.37) MAPTALDH1A1HPGDTHRBL3MBTL1
SCHEMBL7312705 0.85 TNF (0.39) MAPTALDH1A1HPGDL3MBTL1LMNA
SCHEMBL7307818 0.83 GRIN2D (0.34) MAPTALDH1A1
SCHEMBL7310260 0.81 TNF (0.39) MAPTALDH1A1HPGDL3MBTL1LMNA
SCHEMBL7309039 0.81 ALDH1A1 (0.40) MAPTALDH1A1HPGDTHRBLMNA

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