SCHEMBL7834683

SCHEMBL7834683

O=C(O)CCC(Cl)(Cl)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
EGLN1 Q9GZT9 2/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
THRB P10828 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.35
TSHR P16473 5/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
FFAR3 O14843 1/20 0.33
ESR1 P03372 1/20 0.32

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
SCHEMBL7819856 0.81
SCHEMBL9257550 0.81
Hydrochloric Acid SCHEMBL9255230 0.79 LMNA (0.40) LMNAEGLN1ALKBH5SUCNR1ALDH1A1
SCHEMBL7826082 0.77 LMNA (0.38) LMNAEGLN1ALKBH5SUCNR1ALDH1A1
SCHEMBL7822548 0.76 LMNA (0.42) LMNAEGLN1ALKBH5SUCNR1ALDH1A1
SCHEMBL3894038 0.76 LMNA (0.42) LMNAEGLN1ALKBH5SUCNR1ALDH1A1
SCHEMBL866140 0.76 LMNA (0.42) LMNAEGLN1ALKBH5SUCNR1ALDH1A1
SCHEMBL12987414 0.75 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1ALDH1A1
SCHEMBL1868226 0.75
SCHEMBL38157 0.75

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