SCHEMBL6049352

SCHEMBL6049352

FC(F)(F)CCc1cccc(OCCC(Cl)I)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.43
▸ CYP2D6 P10635 2/20 0.41
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34

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
SCHEMBL6049335 0.86 L3MBTL1 (0.39) KCNH2TSHRMAPK1TDP1L3MBTL1
SCHEMBL6049377 0.80 MAPT (0.41) L3MBTL1
SCHEMBL6049355 0.78 MAPK1 (0.42) TSHRMAPK1TDP1L3MBTL1NR1H2
SCHEMBL6049337 0.77 L3MBTL1 (0.52) L3MBTL1
SCHEMBL6049333 0.74 CETP (0.38) TSHRMAPK1TDP1L3MBTL1
SCHEMBL11251764 0.70 TAAR1 (0.45) CYP2D6
SCHEMBL6647118 0.69 PPARA (0.54) KCNH2CYP2D6
SCHEMBL3966817 0.68 TDP1 (0.49) KCNH2CYP2D6TSHRMAPK1TDP1
SCHEMBL4160475 0.68 KCNH2 (0.51) KCNH2CYP2D6
SCHEMBL28032739 0.67 TAAR1 (0.58) TSHRMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 — — EP disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 — — EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 — — WO disclosed
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