SCHEMBL1904229

SCHEMBL1904229

Cc1cc(C)cc(Oc2cccc(C(NC[C@@H](O)C(F)(F)F)c3ccc(C(F)(F)F)cc3F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.41
PDE2A O00408 3/20 0.39
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 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
SCHEMBL5669194 1.00 CETP (0.41) CETPPDE2APPARGPPARDPPARA
SCHEMBL6273236 0.95 CETP (0.40) CETPPDE2ALMNA
SCHEMBL6430199 0.95 CETP (0.40) CETPPDE2ALMNA
SCHEMBL994517 0.93 CETP (0.41) CETPPDE2APPARGPPARDPPARA
SCHEMBL6274625 0.93 CETP (0.41) CETPPDE2APPARGPPARDPPARA
SCHEMBL6571229 0.93 CETP (0.41) CETPLMNAKCNH2
SCHEMBL6565905 0.93 CETP (0.41) CETPLMNAKCNH2
SCHEMBL1899039 0.90 PDE2A (0.42) CETPPDE2APPARGLMNAFFAR1
SCHEMBL5669024 0.90 PDE2A (0.42) CETPPDE2APPARGLMNAFFAR1
SCHEMBL5668949 0.90 CETP (0.40) CETPPDE2A

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-2316447-A1 Method of inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-04 EP disclosed
WO-2005117869-A1 COMBINATIONS COMPRISING (S)-AMLODIPINE AND A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR, AND METHODS FOR REDUCING HYPERTENSION SEPRACOR INC. (US) 2005-12-15 WO disclosed