SCHEMBL7821073

SCHEMBL7821073

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
LMNA P02545 2/20 0.33
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL453090 1.00 TSHR (0.42) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL7812907 0.87 TSHR (0.36) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL5704732 0.87 TSHR (0.36) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL899318 0.80 TSHR (0.44) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL899316 0.80 TSHR (0.44) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL9187017 0.78 TSHR (0.42) TSHRTP53EGLN1EGLN3LMNA
SCHEMBL17186622 0.77
SCHEMBL408424 0.77
SCHEMBL239930 0.77
SCHEMBL15754827 0.76 TSHR (0.40) TSHRTP53EGLN1EGLN3LMNA

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