SCHEMBL7318877

SCHEMBL7318877

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
MAPT P10636 5/20 0.32
ALDH1A1 P00352 3/20 0.32
VCAM1 P19320 1/20 0.32
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
ENPP2 Q13822 1/20 0.30
GAA P10253 3/20 0.30
MEN1 O00255 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL7317613 0.96 PTPN7 (0.32) PTPN7PTPN12PTPN22MAPTALDH1A1
SCHEMBL7314929 0.90 FFAR4 (0.38) MAPTALDH1A1HPGDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7318884 0.89 FFAR4 (0.37) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7307818 0.86 GRIN2D (0.34) MAPTALDH1A1FFAR4
SCHEMBL7319123 0.86 HPGD (0.39) MAPTALDH1A1HPGDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7317619 0.85 HPGD (0.39) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7310260 0.85 TNF (0.39) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7310184 0.82 GRIN2D (0.33) MAPTALDH1A1HPGDFFAR4
SCHEMBL7312705 0.82 TNF (0.39) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7317330 0.79 ALDH1A1 (0.46) MAPTALDH1A1HPGDSMN1; SMN2LMNA

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