SCHEMBL7812907

SCHEMBL7812907

O=C(O)/C=C/C(F)(C(F)(F)F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
THRB P10828 2/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 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
SCHEMBL5704732 1.00 TSHR (0.36) TSHRTP53EGLN1EGLN3THRB
SCHEMBL7821073 0.87 TSHR (0.42) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL453090 0.87 TSHR (0.42) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL8830567 0.76 THRB (0.46) TSHRTP53EGLN1EGLN3THRB
SCHEMBL16178793 0.76 THRB (0.46) TSHRTP53EGLN1EGLN3THRB
SCHEMBL32685382 0.76 THRB (0.46) TSHRTP53EGLN1EGLN3THRB
SCHEMBL28564049 0.76 THRB (0.46) TSHRTP53EGLN1EGLN3THRB
SCHEMBL7825171 0.74 THRB (0.39) TSHRTP53EGLN1EGLN3THRB
SCHEMBL7825174 0.74 THRB (0.39) TSHRTP53EGLN1EGLN3THRB
SCHEMBL899316 0.74 TSHR (0.44) TSHRTP53EGLN1EGLN3THRB

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