SCHEMBL7828119

SCHEMBL7828119

O=C(COC(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-])OC(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.42
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
VDR P11473 1/20 0.36
MITF O75030 1/20 0.35
HPGD P15428 1/20 0.35
MC4R P32245 1/20 0.35

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
SCHEMBL8492159 0.75 HPD (0.52) HPDMAPTMEN1KMT2APOLB
Glycolic Acid SCHEMBL7828115 0.74 HPD (0.46) HPDMAPTMEN1KMT2ALMNA
SCHEMBL8787361 0.70 HPD (0.49) HPDMAPTMEN1KMT2ALMNA
SCHEMBL107505 0.70 ALDH1A1 (0.51) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL22749351 0.69 CFTR (0.58) HPDMAPTMEN1KMT2ALMNA
SCHEMBL5841692 0.69 HPD (0.54) HPDMAPTMEN1KMT2ALMNA
SCHEMBL10680778 0.69 CYP1A2 (0.58) HPDMAPTMEN1KMT2ALMNA
SCHEMBL30959714 0.68 CFTR (0.60) HPDMAPTMEN1KMT2AMAPK1
SCHEMBL1450704 0.68 CFTR (0.60) HPDMAPTMEN1KMT2AMAPK1
SCHEMBL10685921 0.68 CYP1A2 (0.43) MAPTMEN1KMT2ALMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed