SCHEMBL7825174

SCHEMBL7825174

O=C(O)C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 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
SCHEMBL7825171 1.00 THRB (0.39) THRBTSHRTP53EGLN1EGLN3
SCHEMBL9187017 0.85 TSHR (0.42) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL16178793 0.79 THRB (0.46) THRBTSHRTP53EGLN1EGLN3
SCHEMBL8830567 0.79 THRB (0.46) THRBTSHRTP53EGLN1EGLN3
SCHEMBL32685382 0.79 THRB (0.46) THRBTSHRTP53EGLN1EGLN3
SCHEMBL28564049 0.79 THRB (0.46) THRBTSHRTP53EGLN1EGLN3
SCHEMBL5704732 0.74 TSHR (0.36) THRBTSHRTP53EGLN1EGLN3
SCHEMBL7812907 0.74 TSHR (0.36) THRBTSHRTP53EGLN1EGLN3
Perflubutane SCHEMBL5248912 0.72 LMNA (0.59) THRBTSHRTP53EGLN1EGLN3
SCHEMBL899316 0.72 TSHR (0.44) THRBTSHRTP53EGLN1EGLN3

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