SCHEMBL7314929

SCHEMBL7314929

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.38
HPGD P15428 2/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN5A Q14524 2/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
FFAR1 O14842 3/20 0.36
RAB9A P51151 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
IMPDH2 P12268 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33

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
Hydrochloric Acid SCHEMBL7318884 0.99 FFAR4 (0.37) FFAR4HPGDTHRBL3MBTL1SCN5A
SCHEMBL7319123 0.96 HPGD (0.39) FFAR4HPGDTHRBL3MBTL1SCN5A
Hydrochloric Acid SCHEMBL7317619 0.95 HPGD (0.39) FFAR4HPGDTHRBL3MBTL1SCN5A
SCHEMBL7318877 0.90 PTPN7 (0.33) FFAR4HPGDCYP3A4RAB9ACYP2C9
SCHEMBL7317613 0.86 PTPN7 (0.32) HPGDTHRBL3MBTL1RAB9AMAPT
SCHEMBL7317297 0.85 FFAR4 (0.39) FFAR4HPGDTHRBL3MBTL1FFAR1
SCHEMBL7310260 0.85 TNF (0.39) HPGDL3MBTL1CYP3A4RAB9ACYP2C9
Hydrochloric Acid SCHEMBL7307828 0.84 FFAR4 (0.39) FFAR4HPGDTHRBL3MBTL1FFAR1
SCHEMBL7312705 0.82 TNF (0.39) HPGDL3MBTL1CYP3A4RAB9ACYP2C9
SCHEMBL7307997 0.81 THRB (0.41) FFAR4HPGDTHRBL3MBTL1FFAR1

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