SCHEMBL7159587

SCHEMBL7159587

O=C(O)N[C@@H](Cc1cccc(OC(F)(F)C(F)F)c1)[C@H](O)c1ccc(Oc2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 19/20 0.44
MAPK14 Q16539 1/20 0.41

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
SCHEMBL5751004 1.00 CETP (0.44) CETPMAPK14
SCHEMBL5750279 0.86 MAPK14 (0.39) CETPMAPK14
SCHEMBL5751928 0.86 CETP (0.46) CETPMAPK14
SCHEMBL5756069 0.84 CETP (0.51) CETP
SCHEMBL5751621 0.83 CETP (0.43) CETPMAPK14
SCHEMBL5755650 0.81 CETP (0.36) CETPMAPK14
SCHEMBL5749945 0.81 CETP (0.41) CETPMAPK14
SCHEMBL7173132 0.81 CETP (0.41) CETPMAPK14
SCHEMBL7124640 0.81 CETP (0.39) CETP
SCHEMBL7123267 0.80 CETP (0.38) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed